----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 18:31:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) Number of symmetry operations in supercell: 48 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.131319280000872 0.000000000000000 0.000000000000000 b 0.000000000000000 5.058152389999998 0.000000000000000 c -1.130547904303159 0.000000000000000 7.440751098767177 Atomic positions (fractional): *1 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 2 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 *3 P 0.74850129855460 0.70779724461455 0.74556428115035 30.974 4 P 0.25149870144540 0.20779724461456 0.75443571884965 30.974 5 P 0.25149870144540 0.29220275538544 0.25443571884965 30.974 6 P 0.74850129855460 0.79220275538544 0.24556428115035 30.974 *7 P 0.60542186200677 0.11034281618416 0.40157725679696 30.974 8 P 0.39457813799323 0.61034281618416 0.09842274320304 30.974 9 P 0.39457813799323 0.88965718381584 0.59842274320304 30.974 10 P 0.60542186200677 0.38965718381584 0.90157725679696 30.974 -------------------------------- unit cell --------------------------------- Lattice vectors: a 5.131319280000872 0.000000000000000 0.000000000000000 b 0.000000000000000 5.058152389999998 0.000000000000000 c -1.130547904303159 0.000000000000000 7.440751098767177 Atomic positions (fractional): *1 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 1 2 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 > 2 *3 P 0.74850129855460 0.70779724461455 0.74556428115035 30.974 > 3 4 P 0.25149870144540 0.20779724461456 0.75443571884965 30.974 > 4 5 P 0.25149870144540 0.29220275538544 0.25443571884965 30.974 > 5 6 P 0.74850129855460 0.79220275538544 0.24556428115035 30.974 > 6 *7 P 0.60542186200677 0.11034281618416 0.40157725679696 30.974 > 7 8 P 0.39457813799323 0.61034281618416 0.09842274320304 30.974 > 8 9 P 0.39457813799323 0.88965718381584 0.59842274320304 30.974 > 9 10 P 0.60542186200677 0.38965718381584 0.90157725679696 30.974 > 10 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.262638560001744 0.000000000000000 0.000000000000000 b 0.000000000000000 15.174457169999995 0.000000000000000 c -2.261095808606318 0.000000000000000 14.881502197534354 Atomic positions (fractional): *1 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 1 2 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 1 3 Mg 0.00000000000000 0.33333333333333 0.00000000000000 24.305 > 1 4 Mg 0.50000000000000 0.33333333333333 0.00000000000000 24.305 > 1 5 Mg 0.00000000000000 0.66666666666667 0.00000000000000 24.305 > 1 6 Mg 0.50000000000000 0.66666666666667 0.00000000000000 24.305 > 1 7 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 1 8 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 1 9 Mg 0.00000000000000 0.33333333333333 0.50000000000000 24.305 > 1 10 Mg 0.50000000000000 0.33333333333333 0.50000000000000 24.305 > 1 11 Mg 0.00000000000000 0.66666666666667 0.50000000000000 24.305 > 1 12 Mg 0.50000000000000 0.66666666666667 0.50000000000000 24.305 > 1 13 Mg 0.00000000000000 0.16666666666667 0.25000000000000 24.305 > 2 14 Mg 0.50000000000000 0.16666666666667 0.25000000000000 24.305 > 2 15 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 2 16 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 2 17 Mg 0.00000000000000 0.83333333333333 0.25000000000000 24.305 > 2 18 Mg 0.50000000000000 0.83333333333333 0.25000000000000 24.305 > 2 19 Mg 0.00000000000000 0.16666666666667 0.75000000000000 24.305 > 2 20 Mg 0.50000000000000 0.16666666666667 0.75000000000000 24.305 > 2 21 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 2 22 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 2 23 Mg 0.00000000000000 0.83333333333333 0.75000000000000 24.305 > 2 24 Mg 0.50000000000000 0.83333333333333 0.75000000000000 24.305 > 2 *25 P 0.37425064927730 0.23593241487152 0.37278214057517 30.974 > 3 26 P 0.87425064927730 0.23593241487152 0.37278214057517 30.974 > 3 27 P 0.37425064927730 0.56926574820485 0.37278214057517 30.974 > 3 28 P 0.87425064927730 0.56926574820485 0.37278214057517 30.974 > 3 29 P 0.37425064927730 0.90259908153819 0.37278214057517 30.974 > 3 30 P 0.87425064927730 0.90259908153819 0.37278214057517 30.974 > 3 31 P 0.37425064927730 0.23593241487152 0.87278214057517 30.974 > 3 32 P 0.87425064927730 0.23593241487152 0.87278214057517 30.974 > 3 33 P 0.37425064927730 0.56926574820485 0.87278214057517 30.974 > 3 34 P 0.87425064927730 0.56926574820485 0.87278214057517 30.974 > 3 35 P 0.37425064927730 0.90259908153819 0.87278214057517 30.974 > 3 36 P 0.87425064927730 0.90259908153819 0.87278214057517 30.974 > 3 37 P 0.12574935072270 0.06926574820485 0.37721785942483 30.974 > 4 38 P 0.62574935072270 0.06926574820485 0.37721785942483 30.974 > 4 39 P 0.12574935072270 0.40259908153819 0.37721785942483 30.974 > 4 40 P 0.62574935072270 0.40259908153819 0.37721785942483 30.974 > 4 41 P 0.12574935072270 0.73593241487152 0.37721785942483 30.974 > 4 42 P 0.62574935072270 0.73593241487152 0.37721785942483 30.974 > 4 43 P 0.12574935072270 0.06926574820485 0.87721785942483 30.974 > 4 44 P 0.62574935072270 0.06926574820485 0.87721785942483 30.974 > 4 45 P 0.12574935072270 0.40259908153819 0.87721785942483 30.974 > 4 46 P 0.62574935072270 0.40259908153819 0.87721785942483 30.974 > 4 47 P 0.12574935072270 0.73593241487152 0.87721785942483 30.974 > 4 48 P 0.62574935072270 0.73593241487152 0.87721785942483 30.974 > 4 49 P 0.12574935072270 0.09740091846181 0.12721785942483 30.974 > 5 50 P 0.62574935072270 0.09740091846181 0.12721785942483 30.974 > 5 51 P 0.12574935072270 0.43073425179515 0.12721785942483 30.974 > 5 52 P 0.62574935072270 0.43073425179515 0.12721785942483 30.974 > 5 53 P 0.12574935072270 0.76406758512848 0.12721785942483 30.974 > 5 54 P 0.62574935072270 0.76406758512848 0.12721785942483 30.974 > 5 55 P 0.12574935072270 0.09740091846181 0.62721785942483 30.974 > 5 56 P 0.62574935072270 0.09740091846181 0.62721785942483 30.974 > 5 57 P 0.12574935072270 0.43073425179515 0.62721785942483 30.974 > 5 58 P 0.62574935072270 0.43073425179515 0.62721785942483 30.974 > 5 59 P 0.12574935072270 0.76406758512848 0.62721785942483 30.974 > 5 60 P 0.62574935072270 0.76406758512848 0.62721785942483 30.974 > 5 61 P 0.37425064927730 0.26406758512848 0.12278214057517 30.974 > 6 62 P 0.87425064927730 0.26406758512848 0.12278214057517 30.974 > 6 63 P 0.37425064927730 0.59740091846181 0.12278214057517 30.974 > 6 64 P 0.87425064927730 0.59740091846181 0.12278214057517 30.974 > 6 65 P 0.37425064927730 0.93073425179515 0.12278214057517 30.974 > 6 66 P 0.87425064927730 0.93073425179515 0.12278214057517 30.974 > 6 67 P 0.37425064927730 0.26406758512848 0.62278214057517 30.974 > 6 68 P 0.87425064927730 0.26406758512848 0.62278214057517 30.974 > 6 69 P 0.37425064927730 0.59740091846181 0.62278214057517 30.974 > 6 70 P 0.87425064927730 0.59740091846181 0.62278214057517 30.974 > 6 71 P 0.37425064927730 0.93073425179515 0.62278214057517 30.974 > 6 72 P 0.87425064927730 0.93073425179515 0.62278214057517 30.974 > 6 *73 P 0.30271093100338 0.03678093872805 0.20078862839848 30.974 > 7 74 P 0.80271093100338 0.03678093872805 0.20078862839848 30.974 > 7 75 P 0.30271093100338 0.37011427206139 0.20078862839848 30.974 > 7 76 P 0.80271093100338 0.37011427206139 0.20078862839848 30.974 > 7 77 P 0.30271093100338 0.70344760539472 0.20078862839848 30.974 > 7 78 P 0.80271093100338 0.70344760539472 0.20078862839848 30.974 > 7 79 P 0.30271093100338 0.03678093872805 0.70078862839848 30.974 > 7 80 P 0.80271093100338 0.03678093872805 0.70078862839848 30.974 > 7 81 P 0.30271093100338 0.37011427206139 0.70078862839848 30.974 > 7 82 P 0.80271093100338 0.37011427206139 0.70078862839848 30.974 > 7 83 P 0.30271093100338 0.70344760539472 0.70078862839848 30.974 > 7 84 P 0.80271093100338 0.70344760539472 0.70078862839848 30.974 > 7 85 P 0.19728906899662 0.20344760539472 0.04921137160152 30.974 > 8 86 P 0.69728906899662 0.20344760539472 0.04921137160152 30.974 > 8 87 P 0.19728906899662 0.53678093872805 0.04921137160152 30.974 > 8 88 P 0.69728906899662 0.53678093872805 0.04921137160152 30.974 > 8 89 P 0.19728906899662 0.87011427206139 0.04921137160152 30.974 > 8 90 P 0.69728906899662 0.87011427206139 0.04921137160152 30.974 > 8 91 P 0.19728906899662 0.20344760539472 0.54921137160152 30.974 > 8 92 P 0.69728906899662 0.20344760539472 0.54921137160152 30.974 > 8 93 P 0.19728906899662 0.53678093872805 0.54921137160152 30.974 > 8 94 P 0.69728906899662 0.53678093872805 0.54921137160152 30.974 > 8 95 P 0.19728906899662 0.87011427206139 0.54921137160152 30.974 > 8 96 P 0.69728906899662 0.87011427206139 0.54921137160152 30.974 > 8 97 P 0.19728906899662 0.29655239460528 0.29921137160152 30.974 > 9 98 P 0.69728906899662 0.29655239460528 0.29921137160152 30.974 > 9 99 P 0.19728906899662 0.62988572793861 0.29921137160152 30.974 > 9 100 P 0.69728906899662 0.62988572793861 0.29921137160152 30.974 > 9 101 P 0.19728906899662 0.96321906127195 0.29921137160152 30.974 > 9 102 P 0.69728906899662 0.96321906127195 0.29921137160152 30.974 > 9 103 P 0.19728906899662 0.29655239460528 0.79921137160152 30.974 > 9 104 P 0.69728906899662 0.29655239460528 0.79921137160152 30.974 > 9 105 P 0.19728906899662 0.62988572793861 0.79921137160152 30.974 > 9 106 P 0.69728906899662 0.62988572793861 0.79921137160152 30.974 > 9 107 P 0.19728906899662 0.96321906127195 0.79921137160152 30.974 > 9 108 P 0.69728906899662 0.96321906127195 0.79921137160152 30.974 > 9 109 P 0.30271093100338 0.12988572793861 0.45078862839848 30.974 > 10 110 P 0.80271093100338 0.12988572793861 0.45078862839848 30.974 > 10 111 P 0.30271093100338 0.46321906127195 0.45078862839848 30.974 > 10 112 P 0.80271093100338 0.46321906127195 0.45078862839848 30.974 > 10 113 P 0.30271093100338 0.79655239460528 0.45078862839848 30.974 > 10 114 P 0.80271093100338 0.79655239460528 0.45078862839848 30.974 > 10 115 P 0.30271093100338 0.12988572793861 0.95078862839848 30.974 > 10 116 P 0.80271093100338 0.12988572793861 0.95078862839848 30.974 > 10 117 P 0.30271093100338 0.46321906127195 0.95078862839848 30.974 > 10 118 P 0.80271093100338 0.46321906127195 0.95078862839848 30.974 > 10 119 P 0.30271093100338 0.79655239460528 0.95078862839848 30.974 > 10 120 P 0.80271093100338 0.79655239460528 0.95078862839848 30.974 > 10 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.1481396 0.0000000 -0.5050786 0.0000000 13.0240952 0.0000000 -0.5050766 0.0000000 10.9471343 -------------------------- Born effective charges -------------------------- 1 Mg 2.7582819 0.3115892 0.1256283 -0.1348920 1.8542202 -0.1529006 -0.1456923 -0.2600071 2.0500035 2 Mg 2.7582819 -0.3115892 0.1256283 0.1348920 1.8542202 0.1529006 -0.1456923 0.2600071 2.0500035 3 P -1.0445718 -0.2580942 0.1211382 0.0843527 -1.3774272 0.1610862 0.3957080 -0.0901534 -1.4556291 4 P -1.0445718 0.2580942 0.1211382 -0.0843527 -1.3774272 -0.1610862 0.3957080 0.0901534 -1.4556291 5 P -1.0445718 -0.2580942 0.1211382 0.0843527 -1.3774272 0.1610862 0.3957080 -0.0901534 -1.4556291 6 P -1.0445718 0.2580942 0.1211382 -0.0843527 -1.3774272 -0.1610862 0.3957080 0.0901534 -1.4556291 7 P -0.3345691 -0.3589557 -0.1839524 -0.5767628 0.4503171 0.0416198 -0.3228619 0.1062056 0.4306274 8 P -0.3345691 0.3589557 -0.1839524 0.5767628 0.4503171 -0.0416198 -0.3228619 -0.1062056 0.4306274 9 P -0.3345691 -0.3589557 -0.1839524 -0.5767628 0.4503171 0.0416198 -0.3228619 0.1062056 0.4306274 10 P -0.3345691 0.3589557 -0.1839524 0.5767628 0.4503171 -0.0416198 -0.3228619 -0.1062056 0.4306274 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 360/360 Permutation basis: 5880/5880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1434 Number of blocks in projector: 1434 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 302 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 302 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 302 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 176 Use standard eigh solver. Tree of FC basis block matrices: - (1434, 1408), data: False |-- (176, 173), data: True |-- (176, 173), data: True |-- (176, 173), data: True |-- (302, 297), data: True |-- (302, 296), data: True |-- (302, 296), data: True ----- Solver_atoms: 1 -- 120 / 120 Time (Solver_compr_matrix_reshape): 0.004 Solver_block: 100 / 320 - Time: 2.077 Solver_block: 200 / 320 - Time: 2.087 Solver_block: 300 / 320 - Time: 2.066 Solver_block: 320 / 320 - Time: 0.510 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 6.938 --------------------------------- Symfc end -------------------------------- Max drift of force constants: 0.00000000 (yy) 0.00000000 (yy) Permutation basis: 360/360 Permutation basis: 5880/5880 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 1434 Number of blocks in projector: 1434 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 302 Use standard eigh solver. --- Eigsh_solver_block: 2 / 6 --- Block_size: 302 Use standard eigh solver. --- Eigsh_solver_block: 3 / 6 --- Block_size: 302 Use standard eigh solver. --- Eigsh_solver_block: 4 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 5 / 6 --- Block_size: 176 Use standard eigh solver. --- Eigsh_solver_block: 6 / 6 --- Block_size: 176 Use standard eigh solver. Tree of FC basis block matrices: - (1434, 1408), data: False |-- (176, 173), data: True |-- (176, 173), data: True |-- (176, 173), data: True |-- (302, 297), data: True |-- (302, 296), data: True |-- (302, 296), data: True Max drift after symmetrization by symfc projector: 0.00000000 (yy) 0.00000000 (yy) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 18:31:48]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:31:48]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.131319280000872 0.000000000000000 0.000000000000000 b 0.000000000000000 5.058152389999998 0.000000000000000 c -1.130547904303159 0.000000000000000 7.440751098767177 Atomic positions (fractional): 1 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 2 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 3 P 0.74850129855460 0.70779724461455 0.74556428115035 30.974 4 P 0.25149870144540 0.20779724461456 0.75443571884965 30.974 5 P 0.25149870144540 0.29220275538544 0.25443571884965 30.974 6 P 0.74850129855460 0.79220275538544 0.24556428115035 30.974 7 P 0.60542186200677 0.11034281618416 0.40157725679696 30.974 8 P 0.39457813799323 0.61034281618416 0.09842274320304 30.974 9 P 0.39457813799323 0.88965718381584 0.59842274320304 30.974 10 P 0.60542186200677 0.38965718381584 0.90157725679696 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.262638560001744 0.000000000000000 0.000000000000000 b 0.000000000000000 15.174457169999995 0.000000000000000 c -2.261095808606318 0.000000000000000 14.881502197534354 Atomic positions (fractional): 1 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 1 2 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 1 3 Mg 0.00000000000000 0.33333333333333 0.00000000000000 24.305 > 1 4 Mg 0.50000000000000 0.33333333333333 0.00000000000000 24.305 > 1 5 Mg 0.00000000000000 0.66666666666667 0.00000000000000 24.305 > 1 6 Mg 0.50000000000000 0.66666666666667 0.00000000000000 24.305 > 1 7 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 1 8 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 1 9 Mg 0.00000000000000 0.33333333333333 0.50000000000000 24.305 > 1 10 Mg 0.50000000000000 0.33333333333333 0.50000000000000 24.305 > 1 11 Mg 0.00000000000000 0.66666666666667 0.50000000000000 24.305 > 1 12 Mg 0.50000000000000 0.66666666666667 0.50000000000000 24.305 > 1 13 Mg 0.00000000000000 0.16666666666667 0.25000000000000 24.305 > 13 14 Mg 0.50000000000000 0.16666666666667 0.25000000000000 24.305 > 13 15 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 13 16 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 13 17 Mg 0.00000000000000 0.83333333333333 0.25000000000000 24.305 > 13 18 Mg 0.50000000000000 0.83333333333333 0.25000000000000 24.305 > 13 19 Mg 0.00000000000000 0.16666666666667 0.75000000000000 24.305 > 13 20 Mg 0.50000000000000 0.16666666666667 0.75000000000000 24.305 > 13 21 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 13 22 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 13 23 Mg 0.00000000000000 0.83333333333333 0.75000000000000 24.305 > 13 24 Mg 0.50000000000000 0.83333333333333 0.75000000000000 24.305 > 13 25 P 0.37425064927730 0.23593241487152 0.37278214057517 30.974 > 25 26 P 0.87425064927730 0.23593241487152 0.37278214057517 30.974 > 25 27 P 0.37425064927730 0.56926574820485 0.37278214057517 30.974 > 25 28 P 0.87425064927730 0.56926574820485 0.37278214057517 30.974 > 25 29 P 0.37425064927730 0.90259908153819 0.37278214057517 30.974 > 25 30 P 0.87425064927730 0.90259908153819 0.37278214057517 30.974 > 25 31 P 0.37425064927730 0.23593241487152 0.87278214057517 30.974 > 25 32 P 0.87425064927730 0.23593241487152 0.87278214057517 30.974 > 25 33 P 0.37425064927730 0.56926574820485 0.87278214057517 30.974 > 25 34 P 0.87425064927730 0.56926574820485 0.87278214057517 30.974 > 25 35 P 0.37425064927730 0.90259908153819 0.87278214057517 30.974 > 25 36 P 0.87425064927730 0.90259908153819 0.87278214057517 30.974 > 25 37 P 0.12574935072270 0.06926574820485 0.37721785942483 30.974 > 37 38 P 0.62574935072270 0.06926574820485 0.37721785942483 30.974 > 37 39 P 0.12574935072270 0.40259908153819 0.37721785942483 30.974 > 37 40 P 0.62574935072270 0.40259908153819 0.37721785942483 30.974 > 37 41 P 0.12574935072270 0.73593241487152 0.37721785942483 30.974 > 37 42 P 0.62574935072270 0.73593241487152 0.37721785942483 30.974 > 37 43 P 0.12574935072270 0.06926574820485 0.87721785942483 30.974 > 37 44 P 0.62574935072270 0.06926574820485 0.87721785942483 30.974 > 37 45 P 0.12574935072270 0.40259908153819 0.87721785942483 30.974 > 37 46 P 0.62574935072270 0.40259908153819 0.87721785942483 30.974 > 37 47 P 0.12574935072270 0.73593241487152 0.87721785942483 30.974 > 37 48 P 0.62574935072270 0.73593241487152 0.87721785942483 30.974 > 37 49 P 0.12574935072270 0.09740091846181 0.12721785942483 30.974 > 49 50 P 0.62574935072270 0.09740091846181 0.12721785942483 30.974 > 49 51 P 0.12574935072270 0.43073425179515 0.12721785942483 30.974 > 49 52 P 0.62574935072270 0.43073425179515 0.12721785942483 30.974 > 49 53 P 0.12574935072270 0.76406758512848 0.12721785942483 30.974 > 49 54 P 0.62574935072270 0.76406758512848 0.12721785942483 30.974 > 49 55 P 0.12574935072270 0.09740091846181 0.62721785942483 30.974 > 49 56 P 0.62574935072270 0.09740091846181 0.62721785942483 30.974 > 49 57 P 0.12574935072270 0.43073425179515 0.62721785942483 30.974 > 49 58 P 0.62574935072270 0.43073425179515 0.62721785942483 30.974 > 49 59 P 0.12574935072270 0.76406758512848 0.62721785942483 30.974 > 49 60 P 0.62574935072270 0.76406758512848 0.62721785942483 30.974 > 49 61 P 0.37425064927730 0.26406758512848 0.12278214057517 30.974 > 61 62 P 0.87425064927730 0.26406758512848 0.12278214057517 30.974 > 61 63 P 0.37425064927730 0.59740091846181 0.12278214057517 30.974 > 61 64 P 0.87425064927730 0.59740091846181 0.12278214057517 30.974 > 61 65 P 0.37425064927730 0.93073425179515 0.12278214057517 30.974 > 61 66 P 0.87425064927730 0.93073425179515 0.12278214057517 30.974 > 61 67 P 0.37425064927730 0.26406758512848 0.62278214057517 30.974 > 61 68 P 0.87425064927730 0.26406758512848 0.62278214057517 30.974 > 61 69 P 0.37425064927730 0.59740091846181 0.62278214057517 30.974 > 61 70 P 0.87425064927730 0.59740091846181 0.62278214057517 30.974 > 61 71 P 0.37425064927730 0.93073425179515 0.62278214057517 30.974 > 61 72 P 0.87425064927730 0.93073425179515 0.62278214057517 30.974 > 61 73 P 0.30271093100338 0.03678093872805 0.20078862839848 30.974 > 73 74 P 0.80271093100338 0.03678093872805 0.20078862839848 30.974 > 73 75 P 0.30271093100338 0.37011427206139 0.20078862839848 30.974 > 73 76 P 0.80271093100338 0.37011427206139 0.20078862839848 30.974 > 73 77 P 0.30271093100338 0.70344760539472 0.20078862839848 30.974 > 73 78 P 0.80271093100338 0.70344760539472 0.20078862839848 30.974 > 73 79 P 0.30271093100338 0.03678093872805 0.70078862839848 30.974 > 73 80 P 0.80271093100338 0.03678093872805 0.70078862839848 30.974 > 73 81 P 0.30271093100338 0.37011427206139 0.70078862839848 30.974 > 73 82 P 0.80271093100338 0.37011427206139 0.70078862839848 30.974 > 73 83 P 0.30271093100338 0.70344760539472 0.70078862839848 30.974 > 73 84 P 0.80271093100338 0.70344760539472 0.70078862839848 30.974 > 73 85 P 0.19728906899662 0.20344760539472 0.04921137160152 30.974 > 85 86 P 0.69728906899662 0.20344760539472 0.04921137160152 30.974 > 85 87 P 0.19728906899662 0.53678093872805 0.04921137160152 30.974 > 85 88 P 0.69728906899662 0.53678093872805 0.04921137160152 30.974 > 85 89 P 0.19728906899662 0.87011427206139 0.04921137160152 30.974 > 85 90 P 0.69728906899662 0.87011427206139 0.04921137160152 30.974 > 85 91 P 0.19728906899662 0.20344760539472 0.54921137160152 30.974 > 85 92 P 0.69728906899662 0.20344760539472 0.54921137160152 30.974 > 85 93 P 0.19728906899662 0.53678093872805 0.54921137160152 30.974 > 85 94 P 0.69728906899662 0.53678093872805 0.54921137160152 30.974 > 85 95 P 0.19728906899662 0.87011427206139 0.54921137160152 30.974 > 85 96 P 0.69728906899662 0.87011427206139 0.54921137160152 30.974 > 85 97 P 0.19728906899662 0.29655239460528 0.29921137160152 30.974 > 97 98 P 0.69728906899662 0.29655239460528 0.29921137160152 30.974 > 97 99 P 0.19728906899662 0.62988572793861 0.29921137160152 30.974 > 97 100 P 0.69728906899662 0.62988572793861 0.29921137160152 30.974 > 97 101 P 0.19728906899662 0.96321906127195 0.29921137160152 30.974 > 97 102 P 0.69728906899662 0.96321906127195 0.29921137160152 30.974 > 97 103 P 0.19728906899662 0.29655239460528 0.79921137160152 30.974 > 97 104 P 0.69728906899662 0.29655239460528 0.79921137160152 30.974 > 97 105 P 0.19728906899662 0.62988572793861 0.79921137160152 30.974 > 97 106 P 0.69728906899662 0.62988572793861 0.79921137160152 30.974 > 97 107 P 0.19728906899662 0.96321906127195 0.79921137160152 30.974 > 97 108 P 0.69728906899662 0.96321906127195 0.79921137160152 30.974 > 97 109 P 0.30271093100338 0.12988572793861 0.45078862839848 30.974 > 109 110 P 0.80271093100338 0.12988572793861 0.45078862839848 30.974 > 109 111 P 0.30271093100338 0.46321906127195 0.45078862839848 30.974 > 109 112 P 0.80271093100338 0.46321906127195 0.45078862839848 30.974 > 109 113 P 0.30271093100338 0.79655239460528 0.45078862839848 30.974 > 109 114 P 0.80271093100338 0.79655239460528 0.45078862839848 30.974 > 109 115 P 0.30271093100338 0.12988572793861 0.95078862839848 30.974 > 109 116 P 0.80271093100338 0.12988572793861 0.95078862839848 30.974 > 109 117 P 0.30271093100338 0.46321906127195 0.95078862839848 30.974 > 109 118 P 0.80271093100338 0.46321906127195 0.95078862839848 30.974 > 109 119 P 0.30271093100338 0.79655239460528 0.95078862839848 30.974 > 109 120 P 0.80271093100338 0.79655239460528 0.95078862839848 30.974 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 10.1481396 0.0000000 -0.5050786 0.0000000 13.0240952 0.0000000 -0.5050766 0.0000000 10.9471343 -------------------------- Born effective charges -------------------------- 1 Mg 2.7582819 0.3115892 0.1256283 -0.1348920 1.8542202 -0.1529006 -0.1456923 -0.2600071 2.0500035 2 Mg 2.7582819 -0.3115892 0.1256283 0.1348920 1.8542202 0.1529006 -0.1456923 0.2600071 2.0500035 3 P -1.0445718 -0.2580942 0.1211382 0.0843527 -1.3774272 0.1610862 0.3957080 -0.0901534 -1.4556291 4 P -1.0445718 0.2580942 0.1211382 -0.0843527 -1.3774272 -0.1610862 0.3957080 0.0901534 -1.4556291 5 P -1.0445718 -0.2580942 0.1211382 0.0843527 -1.3774272 0.1610862 0.3957080 -0.0901534 -1.4556291 6 P -1.0445718 0.2580942 0.1211382 -0.0843527 -1.3774272 -0.1610862 0.3957080 0.0901534 -1.4556291 7 P -0.3345691 -0.3589557 -0.1839524 -0.5767628 0.4503171 0.0416198 -0.3228619 0.1062056 0.4306274 8 P -0.3345691 0.3589557 -0.1839524 0.5767628 0.4503171 -0.0416198 -0.3228619 -0.1062056 0.4306274 9 P -0.3345691 -0.3589557 -0.1839524 -0.5767628 0.4503171 0.0416198 -0.3228619 0.1062056 0.4306274 10 P -0.3345691 0.3589557 -0.1839524 0.5767628 0.4503171 -0.0416198 -0.3228619 -0.1062056 0.4306274 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 25, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Computing fc3[ 73, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [-0.0015 0.0000 0.0099] [ 0.0015 0.0000 -0.0099] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: -0.00000002 (xz) -0.00000002 (xz) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:32:03]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 18:32:04]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [2 3 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: P2_1/c (14) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 5.131319280000872 0.000000000000000 0.000000000000000 b 0.000000000000000 5.058152389999998 0.000000000000000 c -1.130547904303159 0.000000000000000 7.440751098767177 Atomic positions (fractional): 1 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 2 Mg 0.00000000000000 0.50000000000000 0.50000000000000 24.305 3 P 0.74850129855460 0.70779724461455 0.74556428115035 30.974 4 P 0.25149870144540 0.20779724461456 0.75443571884965 30.974 5 P 0.25149870144540 0.29220275538544 0.25443571884965 30.974 6 P 0.74850129855460 0.79220275538544 0.24556428115035 30.974 7 P 0.60542186200677 0.11034281618416 0.40157725679696 30.974 8 P 0.39457813799323 0.61034281618416 0.09842274320304 30.974 9 P 0.39457813799323 0.88965718381584 0.59842274320304 30.974 10 P 0.60542186200677 0.38965718381584 0.90157725679696 30.974 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.262638560001744 0.000000000000000 0.000000000000000 b 0.000000000000000 15.174457169999995 0.000000000000000 c -2.261095808606318 0.000000000000000 14.881502197534354 Atomic positions (fractional): 1 Mg 0.00000000000000 0.00000000000000 0.00000000000000 24.305 > 1 2 Mg 0.50000000000000 0.00000000000000 0.00000000000000 24.305 > 1 3 Mg 0.00000000000000 0.33333333333333 0.00000000000000 24.305 > 1 4 Mg 0.50000000000000 0.33333333333333 0.00000000000000 24.305 > 1 5 Mg 0.00000000000000 0.66666666666667 0.00000000000000 24.305 > 1 6 Mg 0.50000000000000 0.66666666666667 0.00000000000000 24.305 > 1 7 Mg 0.00000000000000 0.00000000000000 0.50000000000000 24.305 > 1 8 Mg 0.50000000000000 0.00000000000000 0.50000000000000 24.305 > 1 9 Mg 0.00000000000000 0.33333333333333 0.50000000000000 24.305 > 1 10 Mg 0.50000000000000 0.33333333333333 0.50000000000000 24.305 > 1 11 Mg 0.00000000000000 0.66666666666667 0.50000000000000 24.305 > 1 12 Mg 0.50000000000000 0.66666666666667 0.50000000000000 24.305 > 1 13 Mg 0.00000000000000 0.16666666666667 0.25000000000000 24.305 > 13 14 Mg 0.50000000000000 0.16666666666667 0.25000000000000 24.305 > 13 15 Mg 0.00000000000000 0.50000000000000 0.25000000000000 24.305 > 13 16 Mg 0.50000000000000 0.50000000000000 0.25000000000000 24.305 > 13 17 Mg 0.00000000000000 0.83333333333333 0.25000000000000 24.305 > 13 18 Mg 0.50000000000000 0.83333333333333 0.25000000000000 24.305 > 13 19 Mg 0.00000000000000 0.16666666666667 0.75000000000000 24.305 > 13 20 Mg 0.50000000000000 0.16666666666667 0.75000000000000 24.305 > 13 21 Mg 0.00000000000000 0.50000000000000 0.75000000000000 24.305 > 13 22 Mg 0.50000000000000 0.50000000000000 0.75000000000000 24.305 > 13 23 Mg 0.00000000000000 0.83333333333333 0.75000000000000 24.305 > 13 24 Mg 0.50000000000000 0.83333333333333 0.75000000000000 24.305 > 13 25 P 0.37425064927730 0.23593241487152 0.37278214057517 30.974 > 25 26 P 0.87425064927730 0.23593241487152 0.37278214057517 30.974 > 25 27 P 0.37425064927730 0.56926574820485 0.37278214057517 30.974 > 25 28 P 0.87425064927730 0.56926574820485 0.37278214057517 30.974 > 25 29 P 0.37425064927730 0.90259908153819 0.37278214057517 30.974 > 25 30 P 0.87425064927730 0.90259908153819 0.37278214057517 30.974 > 25 31 P 0.37425064927730 0.23593241487152 0.87278214057517 30.974 > 25 32 P 0.87425064927730 0.23593241487152 0.87278214057517 30.974 > 25 33 P 0.37425064927730 0.56926574820485 0.87278214057517 30.974 > 25 34 P 0.87425064927730 0.56926574820485 0.87278214057517 30.974 > 25 35 P 0.37425064927730 0.90259908153819 0.87278214057517 30.974 > 25 36 P 0.87425064927730 0.90259908153819 0.87278214057517 30.974 > 25 37 P 0.12574935072270 0.06926574820485 0.37721785942483 30.974 > 37 38 P 0.62574935072270 0.06926574820485 0.37721785942483 30.974 > 37 39 P 0.12574935072270 0.40259908153819 0.37721785942483 30.974 > 37 40 P 0.62574935072270 0.40259908153819 0.37721785942483 30.974 > 37 41 P 0.12574935072270 0.73593241487152 0.37721785942483 30.974 > 37 42 P 0.62574935072270 0.73593241487152 0.37721785942483 30.974 > 37 43 P 0.12574935072270 0.06926574820485 0.87721785942483 30.974 > 37 44 P 0.62574935072270 0.06926574820485 0.87721785942483 30.974 > 37 45 P 0.12574935072270 0.40259908153819 0.87721785942483 30.974 > 37 46 P 0.62574935072270 0.40259908153819 0.87721785942483 30.974 > 37 47 P 0.12574935072270 0.73593241487152 0.87721785942483 30.974 > 37 48 P 0.62574935072270 0.73593241487152 0.87721785942483 30.974 > 37 49 P 0.12574935072270 0.09740091846181 0.12721785942483 30.974 > 49 50 P 0.62574935072270 0.09740091846181 0.12721785942483 30.974 > 49 51 P 0.12574935072270 0.43073425179515 0.12721785942483 30.974 > 49 52 P 0.62574935072270 0.43073425179515 0.12721785942483 30.974 > 49 53 P 0.12574935072270 0.76406758512848 0.12721785942483 30.974 > 49 54 P 0.62574935072270 0.76406758512848 0.12721785942483 30.974 > 49 55 P 0.12574935072270 0.09740091846181 0.62721785942483 30.974 > 49 56 P 0.62574935072270 0.09740091846181 0.62721785942483 30.974 > 49 57 P 0.12574935072270 0.43073425179515 0.62721785942483 30.974 > 49 58 P 0.62574935072270 0.43073425179515 0.62721785942483 30.974 > 49 59 P 0.12574935072270 0.76406758512848 0.62721785942483 30.974 > 49 60 P 0.62574935072270 0.76406758512848 0.62721785942483 30.974 > 49 61 P 0.37425064927730 0.26406758512848 0.12278214057517 30.974 > 61 62 P 0.87425064927730 0.26406758512848 0.12278214057517 30.974 > 61 63 P 0.37425064927730 0.59740091846181 0.12278214057517 30.974 > 61 64 P 0.87425064927730 0.59740091846181 0.12278214057517 30.974 > 61 65 P 0.37425064927730 0.93073425179515 0.12278214057517 30.974 > 61 66 P 0.87425064927730 0.93073425179515 0.12278214057517 30.974 > 61 67 P 0.37425064927730 0.26406758512848 0.62278214057517 30.974 > 61 68 P 0.87425064927730 0.26406758512848 0.62278214057517 30.974 > 61 69 P 0.37425064927730 0.59740091846181 0.62278214057517 30.974 > 61 70 P 0.87425064927730 0.59740091846181 0.62278214057517 30.974 > 61 71 P 0.37425064927730 0.93073425179515 0.62278214057517 30.974 > 61 72 P 0.87425064927730 0.93073425179515 0.62278214057517 30.974 > 61 73 P 0.30271093100338 0.03678093872805 0.20078862839848 30.974 > 73 74 P 0.80271093100338 0.03678093872805 0.20078862839848 30.974 > 73 75 P 0.30271093100338 0.37011427206139 0.20078862839848 30.974 > 73 76 P 0.80271093100338 0.37011427206139 0.20078862839848 30.974 > 73 77 P 0.30271093100338 0.70344760539472 0.20078862839848 30.974 > 73 78 P 0.80271093100338 0.70344760539472 0.20078862839848 30.974 > 73 79 P 0.30271093100338 0.03678093872805 0.70078862839848 30.974 > 73 80 P 0.80271093100338 0.03678093872805 0.70078862839848 30.974 > 73 81 P 0.30271093100338 0.37011427206139 0.70078862839848 30.974 > 73 82 P 0.80271093100338 0.37011427206139 0.70078862839848 30.974 > 73 83 P 0.30271093100338 0.70344760539472 0.70078862839848 30.974 > 73 84 P 0.80271093100338 0.70344760539472 0.70078862839848 30.974 > 73 85 P 0.19728906899662 0.20344760539472 0.04921137160152 30.974 > 85 86 P 0.69728906899662 0.20344760539472 0.04921137160152 30.974 > 85 87 P 0.19728906899662 0.53678093872805 0.04921137160152 30.974 > 85 88 P 0.69728906899662 0.53678093872805 0.04921137160152 30.974 > 85 89 P 0.19728906899662 0.87011427206139 0.04921137160152 30.974 > 85 90 P 0.69728906899662 0.87011427206139 0.04921137160152 30.974 > 85 91 P 0.19728906899662 0.20344760539472 0.54921137160152 30.974 > 85 92 P 0.69728906899662 0.20344760539472 0.54921137160152 30.974 > 85 93 P 0.19728906899662 0.53678093872805 0.54921137160152 30.974 > 85 94 P 0.69728906899662 0.53678093872805 0.54921137160152 30.974 > 85 95 P 0.19728906899662 0.87011427206139 0.54921137160152 30.974 > 85 96 P 0.69728906899662 0.87011427206139 0.54921137160152 30.974 > 85 97 P 0.19728906899662 0.29655239460528 0.29921137160152 30.974 > 97 98 P 0.69728906899662 0.29655239460528 0.29921137160152 30.974 > 97 99 P 0.19728906899662 0.62988572793861 0.29921137160152 30.974 > 97 100 P 0.69728906899662 0.62988572793861 0.29921137160152 30.974 > 97 101 P 0.19728906899662 0.96321906127195 0.29921137160152 30.974 > 97 102 P 0.69728906899662 0.96321906127195 0.29921137160152 30.974 > 97 103 P 0.19728906899662 0.29655239460528 0.79921137160152 30.974 > 97 104 P 0.69728906899662 0.29655239460528 0.79921137160152 30.974 > 97 105 P 0.19728906899662 0.62988572793861 0.79921137160152 30.974 > 97 106 P 0.69728906899662 0.62988572793861 0.79921137160152 30.974 > 97 107 P 0.19728906899662 0.96321906127195 0.79921137160152 30.974 > 97 108 P 0.69728906899662 0.96321906127195 0.79921137160152 30.974 > 97 109 P 0.30271093100338 0.12988572793861 0.45078862839848 30.974 > 109 110 P 0.80271093100338 0.12988572793861 0.45078862839848 30.974 > 109 111 P 0.30271093100338 0.46321906127195 0.45078862839848 30.974 > 109 112 P 0.80271093100338 0.46321906127195 0.45078862839848 30.974 > 109 113 P 0.30271093100338 0.79655239460528 0.45078862839848 30.974 > 109 114 P 0.80271093100338 0.79655239460528 0.45078862839848 30.974 > 109 115 P 0.30271093100338 0.12988572793861 0.95078862839848 30.974 > 109 116 P 0.80271093100338 0.12988572793861 0.95078862839848 30.974 > 109 117 P 0.30271093100338 0.46321906127195 0.95078862839848 30.974 > 109 118 P 0.80271093100338 0.46321906127195 0.95078862839848 30.974 > 109 119 P 0.30271093100338 0.79655239460528 0.95078862839848 30.974 > 109 120 P 0.80271093100338 0.79655239460528 0.95078862839848 30.974 > 109 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 10.1481396 0.0000000 -0.5050786 0.0000000 13.0240952 0.0000000 -0.5050766 0.0000000 10.9471343 -------------------------- Born effective charges -------------------------- 1 Mg 2.7582819 0.3115892 0.1256283 -0.1348920 1.8542202 -0.1529006 -0.1456923 -0.2600071 2.0500035 2 Mg 2.7582819 -0.3115892 0.1256283 0.1348920 1.8542202 0.1529006 -0.1456923 0.2600071 2.0500035 3 P -1.0445718 -0.2580942 0.1211382 0.0843527 -1.3774272 0.1610862 0.3957080 -0.0901534 -1.4556291 4 P -1.0445718 0.2580942 0.1211382 -0.0843527 -1.3774272 -0.1610862 0.3957080 0.0901534 -1.4556291 5 P -1.0445718 -0.2580942 0.1211382 0.0843527 -1.3774272 0.1610862 0.3957080 -0.0901534 -1.4556291 6 P -1.0445718 0.2580942 0.1211382 -0.0843527 -1.3774272 -0.1610862 0.3957080 0.0901534 -1.4556291 7 P -0.3345691 -0.3589557 -0.1839524 -0.5767628 0.4503171 0.0416198 -0.3228619 0.1062056 0.4306274 8 P -0.3345691 0.3589557 -0.1839524 0.5767628 0.4503171 -0.0416198 -0.3228619 -0.1062056 0.4306274 9 P -0.3345691 -0.3589557 -0.1839524 -0.5767628 0.4503171 0.0416198 -0.3228619 0.1062056 0.4306274 10 P -0.3345691 0.3589557 -0.1839524 0.5767628 0.4503171 -0.0416198 -0.3228619 -0.1062056 0.4306274 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: 0.00000001 (yyy) 0.00000001 (yyy) 0.00000001 (yyy) Max drift of fc2: 0.00000000 (yy) 0.00000000 (yy) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 10 10 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.72, Number of G-points: 307, Lambda: 0.25 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/216) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 3.661 ( 0.000 0.000 0.000) 0.000 3.839 ( 0.000 0.000 0.000) 0.000 4.297 ( 0.000 0.000 0.000) 0.000 4.534 ( 0.000 0.000 0.000) 0.000 4.631 ( 0.000 0.000 0.000) 0.000 4.752 ( 0.000 0.000 0.000) 0.000 4.972 ( 0.000 0.000 0.000) 0.000 5.792 ( 0.000 0.000 0.000) 0.000 6.382 ( 0.000 0.000 0.000) 0.000 7.037 ( 0.000 0.000 0.000) 0.000 7.058 ( 0.000 0.000 0.000) 0.000 8.072 ( 0.000 0.000 0.000) 0.000 8.419 ( 0.000 0.000 0.000) 0.000 9.064 ( 0.000 0.000 0.000) 0.000 9.385 ( 0.000 0.000 0.000) 0.000 9.878 ( 0.000 0.000 0.000) 0.000 10.609 ( 0.000 0.000 0.000) 0.000 11.702 ( 0.000 0.000 0.000) 0.000 12.067 ( 0.000 0.000 0.000) 0.000 12.340 ( 0.000 0.000 0.000) 0.000 12.546 ( 0.000 0.000 0.000) 0.000 13.150 ( 0.000 0.000 0.000) 0.000 13.253 ( 0.000 0.000 0.000) 0.000 13.744 ( 0.000 0.000 0.000) 0.000 13.921 ( 0.000 0.000 0.000) 0.000 14.117 ( 0.000 0.000 0.000) 0.000 14.326 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/216) ======================= q-point: ( 0.10 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.640 ( 33.023 0.000 -2.748) 33.137 0.792 ( 38.538 0.000 7.433) 39.248 1.175 ( 57.611 0.000 9.778) 58.435 3.669 ( 0.753 0.000 -0.716) 1.039 4.120 ( -0.095 0.000 -4.578) 4.579 4.263 ( -3.238 0.000 -6.621) 7.371 4.468 ( -8.204 0.000 11.661) 14.258 4.542 ( -7.272 0.000 2.287) 7.623 4.788 ( 5.582 0.000 -10.275) 11.693 4.943 ( -2.497 0.000 -3.663) 4.433 5.901 ( 9.607 0.000 3.544) 10.240 6.497 ( 9.898 0.000 7.212) 12.246 7.087 ( 4.501 0.000 2.217) 5.017 7.423 ( -6.268 0.000 6.273) 8.868 8.051 ( -3.403 0.000 7.702) 8.420 8.321 ( -9.498 0.000 0.822) 9.534 9.341 ( -4.294 0.000 -0.152) 4.297 9.484 ( 2.960 0.000 -27.747) 27.905 9.957 ( 7.360 0.000 0.236) 7.364 10.604 ( -5.295 0.000 9.565) 10.933 11.713 ( 0.836 0.000 1.344) 1.583 12.036 ( -3.063 0.000 -0.464) 3.097 12.340 ( 0.076 0.000 -0.246) 0.257 12.543 ( -0.164 0.000 -1.054) 1.066 13.133 ( -1.815 0.000 0.653) 1.929 13.227 ( -2.408 0.000 -3.508) 4.255 13.771 ( -0.263 0.000 -1.073) 1.105 13.923 ( 0.371 0.000 -0.584) 0.691 14.111 ( -0.582 0.000 -0.300) 0.655 14.342 ( 1.386 0.000 1.087) 1.761 ======================= Grid point 2 (3/216) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.267 ( 32.123 0.000 -3.420) 32.305 1.527 ( 34.207 0.000 6.803) 34.877 2.278 ( 52.142 0.000 7.694) 52.707 3.669 ( -0.670 0.000 -6.005) 6.042 4.054 ( -7.014 0.000 -6.086) 9.286 4.100 ( -10.134 0.000 -7.430) 12.566 4.350 ( -4.833 0.000 11.280) 12.272 4.464 ( -1.450 0.000 7.914) 8.046 4.859 ( -4.133 0.000 -7.801) 8.829 4.900 ( 8.214 0.000 -7.887) 11.388 6.138 ( 12.360 0.000 4.583) 13.183 6.764 ( 12.989 0.000 12.089) 17.744 7.207 ( 6.334 0.000 4.031) 7.508 7.291 ( -7.070 0.000 -1.658) 7.262 7.981 ( -6.888 0.000 12.922) 14.643 8.092 ( -13.300 0.000 0.676) 13.318 9.228 ( -6.819 0.000 -0.739) 6.859 9.439 ( -1.197 0.000 -15.498) 15.544 10.132 ( 9.615 0.000 0.948) 9.662 10.509 ( -5.521 0.000 0.284) 5.528 11.738 ( 1.104 0.000 1.955) 2.246 11.953 ( -4.957 0.000 -0.866) 5.033 12.341 ( 0.171 0.000 -0.437) 0.469 12.532 ( -0.499 0.000 -1.669) 1.742 13.087 ( -2.937 0.000 0.895) 3.071 13.149 ( -4.391 0.000 -2.368) 4.988 13.760 ( -0.552 0.000 -0.640) 0.845 13.931 ( 0.628 0.000 -0.746) 0.976 14.093 ( -1.071 0.000 -0.543) 1.201 14.382 ( 2.170 0.000 1.648) 2.725 ======================= Grid point 3 (4/216) ======================= q-point: ( 0.30 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.867 ( 30.474 0.000 -4.138) 30.754 2.147 ( 26.912 0.000 5.879) 27.547 3.215 ( 40.552 0.000 3.290) 40.685 3.560 ( -7.669 0.000 -15.006) 16.852 3.813 ( -14.995 0.000 2.176) 15.152 3.930 ( -4.826 0.000 2.189) 5.299 4.358 ( 2.046 0.000 2.553) 3.271 4.503 ( 1.430 0.000 11.174) 11.265 4.749 ( -3.670 0.000 -12.013) 12.561 5.047 ( 8.160 0.000 -2.894) 8.657 6.374 ( 9.935 0.000 3.738) 10.615 6.966 ( -0.847 0.000 14.377) 14.402 7.219 ( 4.867 0.000 -8.372) 9.684 7.340 ( 5.353 0.000 5.827) 7.912 7.840 ( -11.782 0.000 -0.952) 11.820 7.873 ( -7.573 0.000 14.855) 16.674 9.090 ( -6.566 0.000 -1.219) 6.679 9.342 ( -4.665 0.000 -10.574) 11.557 10.312 ( 8.044 0.000 1.376) 8.160 10.408 ( -4.082 0.000 -2.480) 4.777 11.764 ( 0.905 0.000 1.769) 1.987 11.849 ( -5.112 0.000 -1.038) 5.217 12.344 ( 0.232 0.000 -0.488) 0.541 12.515 ( -0.718 0.000 -1.639) 1.789 13.031 ( -2.888 0.000 0.735) 2.980 13.053 ( -4.497 0.000 -1.745) 4.824 13.748 ( -0.521 0.000 -0.431) 0.676 13.942 ( 0.619 0.000 -0.562) 0.836 14.068 ( -1.228 0.000 -0.616) 1.374 14.430 ( 2.107 0.000 1.542) 2.611 ======================= Grid point 4 (5/216) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.422 ( 27.436 0.000 -4.289) 27.769 2.587 ( 15.954 0.000 4.371) 16.542 3.350 ( -7.757 0.000 -11.523) 13.891 3.406 ( -18.269 0.000 -0.235) 18.271 3.899 ( -0.350 0.000 3.243) 3.262 3.941 ( 22.742 0.000 6.940) 23.777 4.403 ( 1.898 0.000 -1.971) 2.736 4.529 ( -2.748 0.000 7.712) 8.187 4.686 ( 1.453 0.000 -9.092) 9.207 5.185 ( 5.771 0.000 0.299) 5.778 6.529 ( 4.849 0.000 1.998) 5.244 6.887 ( -5.723 0.000 3.823) 6.883 7.322 ( 2.898 0.000 -1.947) 3.491 7.440 ( 2.902 0.000 7.063) 7.636 7.650 ( -6.582 0.000 -3.768) 7.584 7.822 ( -0.885 0.000 10.768) 10.804 8.982 ( -3.836 0.000 -1.033) 3.973 9.213 ( -5.120 0.000 -6.178) 8.024 10.343 ( -1.906 0.000 -2.033) 2.787 10.440 ( 4.467 0.000 1.034) 4.585 11.761 ( -3.307 0.000 -0.754) 3.392 11.782 ( 0.496 0.000 1.027) 1.140 12.347 ( 0.175 0.000 -0.330) 0.373 12.498 ( -0.534 0.000 -1.000) 1.133 12.976 ( -2.815 0.000 -0.952) 2.971 12.986 ( -1.740 0.000 0.389) 1.783 13.739 ( -0.290 0.000 -0.218) 0.363 13.951 ( 0.366 0.000 -0.276) 0.458 14.046 ( -0.841 0.000 -0.419) 0.940 14.467 ( 1.279 0.000 0.910) 1.570 ======================= Grid point 5 (6/216) ======================= q-point: (-0.50 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.758 ( 0.000 0.000 -0.000) 0.000 2.815 ( 0.000 0.000 -0.000) 0.000 3.087 ( -0.000 0.000 -0.000) 0.000 3.247 ( 0.000 0.000 0.000) 0.000 3.905 ( 0.000 0.000 0.000) 0.000 4.194 ( 0.000 0.000 0.000) 0.000 4.415 ( 0.000 0.000 0.000) 0.000 4.497 ( 0.000 0.000 -0.000) 0.000 4.701 ( 0.000 0.000 0.000) 0.000 5.247 ( 0.000 0.000 0.000) 0.000 6.578 ( 0.000 0.000 0.000) 0.000 6.832 ( 0.000 0.000 -0.000) 0.000 7.330 ( 0.000 0.000 -0.000) 0.000 7.486 ( 0.000 0.000 -0.000) 0.000 7.573 ( 0.000 0.000 0.000) 0.000 7.848 ( 0.000 0.000 0.000) 0.000 8.942 ( 0.000 0.000 0.000) 0.000 9.146 ( 0.000 0.000 -0.000) 0.000 10.321 ( 0.000 0.000 0.000) 0.000 10.486 ( 0.000 0.000 0.000) 0.000 11.726 ( 0.000 0.000 0.000) 0.000 11.789 ( 0.000 0.000 0.000) 0.000 12.348 ( 0.000 0.000 -0.000) 0.000 12.491 ( 0.000 0.000 0.000) 0.000 12.946 ( 0.000 0.000 0.000) 0.000 12.969 ( 0.000 0.000 0.000) 0.000 13.736 ( 0.000 0.000 -0.000) 0.000 13.954 ( 0.000 0.000 0.000) 0.000 14.036 ( 0.000 0.000 0.000) 0.000 14.482 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 11 (7/216) ======================= q-point: ( 0.00 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.824 ( 0.000 40.700 0.000) 40.700 0.860 ( 0.000 42.817 0.000) 42.817 1.199 ( 0.000 59.673 0.000) 59.673 3.828 ( 0.000 -0.662 0.000) 0.662 3.853 ( 0.000 4.226 0.000) 4.226 4.264 ( 0.000 -5.347 0.000) 5.347 4.460 ( 0.000 -9.398 0.000) 9.398 4.571 ( 0.000 1.539 0.000) 1.539 4.934 ( 0.000 -8.177 0.000) 8.177 5.021 ( 0.000 18.710 0.000) 18.710 5.617 ( 0.000 -18.003 0.000) 18.003 6.626 ( 0.000 17.404 0.000) 17.404 6.992 ( 0.000 -6.190 0.000) 6.190 7.094 ( 0.000 4.976 0.000) 4.976 8.146 ( 0.000 7.098 0.000) 7.098 8.194 ( 0.000 -18.600 0.000) 18.600 9.229 ( 0.000 12.802 0.000) 12.802 9.324 ( 0.000 -5.975 0.000) 5.975 10.076 ( 0.000 -1.114 0.000) 1.114 10.556 ( 0.000 -5.390 0.000) 5.390 11.739 ( 0.000 3.540 0.000) 3.540 12.093 ( 0.000 1.479 0.000) 1.479 12.342 ( 0.000 0.214 0.000) 0.214 12.531 ( 0.000 -1.493 0.000) 1.493 13.078 ( 0.000 -6.690 0.000) 6.690 13.228 ( 0.000 -2.691 0.000) 2.691 13.767 ( 0.000 2.045 0.000) 2.045 14.028 ( 0.000 -1.096 0.000) 1.096 14.126 ( 0.000 0.860 0.000) 0.860 14.335 ( 0.000 0.759 0.000) 0.759 ======================= Grid point 12 (8/216) ======================= q-point: ( 0.10 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.921 ( 19.498 25.944 -5.292) 32.883 1.086 ( 22.664 31.485 -2.702) 38.888 1.753 ( 38.803 42.833 12.198) 59.068 3.693 ( -3.650 1.013 0.606) 3.836 4.007 ( 2.228 -4.587 -7.085) 8.729 4.246 ( -1.566 -2.862 -4.742) 5.756 4.372 ( -5.377 -5.463 7.654) 10.833 4.679 ( 7.141 2.630 0.715) 7.643 4.846 ( -8.094 4.011 -7.074) 11.473 4.924 ( -5.119 3.456 1.936) 6.473 5.710 ( 9.097 -14.804 1.793) 17.468 6.714 ( 7.199 15.959 6.655) 18.730 7.106 ( 1.071 -1.940 1.847) 2.885 7.169 ( 7.246 -12.067 1.559) 14.162 8.046 ( -7.537 -5.653 10.265) 13.934 8.245 ( -0.464 -2.255 0.533) 2.363 9.246 ( 0.658 -3.418 -12.035) 12.529 9.332 ( 2.221 -0.622 0.021) 2.307 10.097 ( 3.151 3.091 -2.169) 4.918 10.542 ( -2.210 -5.214 1.722) 5.919 11.745 ( 0.390 3.110 1.252) 3.376 12.061 ( -2.832 2.280 -0.453) 3.664 12.342 ( 0.066 0.217 -0.160) 0.278 12.528 ( -0.153 -1.472 -1.152) 1.875 13.068 ( -1.171 -6.283 0.419) 6.405 13.204 ( -2.137 -2.198 -1.300) 3.330 13.770 ( 0.153 1.346 0.081) 1.357 13.986 ( -2.314 1.839 -0.992) 3.118 14.119 ( -0.613 0.791 -0.485) 1.112 14.347 ( 1.068 0.424 0.871) 1.442 ======================= Grid point 13 (9/216) ======================= q-point: ( 0.20 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.417 ( 28.778 11.424 -4.970) 31.359 1.623 ( 30.649 14.890 1.139) 34.094 2.568 ( 39.308 24.943 9.170) 47.449 3.651 ( -1.573 -3.229 0.009) 3.592 3.896 ( -8.592 -5.774 -12.117) 15.938 4.165 ( -3.936 0.717 -6.613) 7.729 4.311 ( -7.366 -2.111 9.236) 12.001 4.643 ( -3.802 11.539 4.794) 13.061 4.860 ( -2.640 1.970 0.173) 3.299 4.880 ( 10.184 -1.931 -6.803) 12.399 5.939 ( 12.649 -15.758 3.655) 20.534 6.879 ( 4.627 6.685 11.371) 13.979 7.080 ( -3.061 -11.107 -3.417) 12.018 7.270 ( 4.513 -2.639 2.432) 5.767 7.918 ( -8.937 -6.163 12.346) 16.440 8.175 ( -6.764 7.934 4.125) 11.212 9.189 ( -2.720 -2.595 -3.973) 5.470 9.366 ( 1.372 -2.600 -9.938) 10.363 10.188 ( 6.057 2.782 0.076) 6.666 10.485 ( -3.115 -2.170 -1.593) 4.117 11.757 ( 0.214 1.883 1.617) 2.491 11.991 ( -3.963 3.731 -0.357) 5.455 12.345 ( 0.302 0.336 -0.379) 0.590 12.517 ( -0.563 -1.484 -1.755) 2.366 13.035 ( -2.280 -5.178 0.679) 5.699 13.142 ( -3.600 -0.808 -1.643) 4.039 13.768 ( -0.356 1.123 -0.027) 1.178 13.958 ( -0.427 1.752 -0.953) 2.040 14.100 ( -1.042 0.744 -0.573) 1.403 14.378 ( 1.729 -0.380 1.336) 2.218 ======================= Grid point 14 (10/216) ======================= q-point: ( 0.30 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.953 ( 27.493 7.282 -5.987) 29.064 2.211 ( 27.450 7.503 3.085) 28.624 3.240 ( 23.610 2.092 1.179) 23.732 3.596 ( -4.052 2.040 -6.797) 8.172 3.681 ( -8.926 -7.925 -2.932) 12.291 4.063 ( -3.900 11.237 0.381) 11.900 4.195 ( -2.889 -7.067 6.266) 9.877 4.672 ( 2.912 2.234 -3.541) 5.100 4.827 ( -0.962 11.345 6.685) 13.203 5.050 ( 8.464 0.848 -5.231) 9.986 6.195 ( 11.763 -15.925 3.642) 20.131 6.857 ( -8.610 -11.295 10.968) 17.944 7.070 ( 3.368 -12.427 -8.660) 15.517 7.376 ( 5.110 1.574 4.326) 6.877 7.787 ( -8.343 -1.952 14.542) 16.878 8.018 ( -10.159 8.859 2.746) 13.756 9.145 ( -0.917 6.194 -0.073) 6.262 9.320 ( -2.279 -0.797 -11.038) 11.299 10.312 ( 6.073 -0.622 0.233) 6.109 10.427 ( -1.935 1.960 -2.224) 3.540 11.756 ( -0.856 0.173 0.786) 1.175 11.918 ( -3.126 5.887 0.236) 6.669 12.351 ( 0.458 0.679 -0.472) 0.946 12.497 ( -0.849 -1.640 -1.693) 2.506 12.989 ( -2.443 -4.088 0.589) 4.799 13.064 ( -3.659 0.797 -1.417) 4.004 13.759 ( -0.532 1.166 -0.090) 1.285 13.956 ( 0.288 1.177 -0.690) 1.395 14.077 ( -1.140 0.860 -0.542) 1.528 14.417 ( 1.732 -1.251 1.271) 2.486 ======================= Grid point 15 (11/216) ======================= q-point: ( 0.40 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.441 ( 23.698 2.320 -4.984) 24.327 2.662 ( 16.644 6.790 2.625) 18.167 3.285 ( -10.279 -4.863 -8.722) 14.331 3.477 ( -8.507 5.248 -0.447) 10.005 3.622 ( 1.213 -13.670 0.757) 13.745 4.113 ( 4.263 -5.001 4.557) 7.997 4.253 ( 6.438 6.518 5.393) 10.631 4.698 ( 3.550 2.436 -11.420) 12.204 4.846 ( -1.202 17.321 9.861) 19.968 5.170 ( 4.856 -0.874 -2.195) 5.400 6.387 ( 6.160 -13.821 2.484) 15.334 6.724 ( -6.046 -14.325 3.946) 16.042 7.122 ( 5.020 -17.935 -6.315) 19.665 7.474 ( 2.751 -0.363 3.279) 4.295 7.677 ( -7.223 -3.340 15.769) 17.663 7.819 ( -9.106 7.509 -3.113) 12.206 9.147 ( -0.113 9.894 4.568) 10.898 9.243 ( -1.546 7.587 -10.674) 13.187 10.379 ( 0.189 2.575 -3.585) 4.418 10.427 ( 2.585 -0.584 2.315) 3.519 11.730 ( -1.517 -0.237 -0.152) 1.543 11.879 ( -1.096 6.834 0.643) 6.951 12.358 ( 0.375 1.122 -0.331) 1.228 12.478 ( -0.665 -1.915 -1.028) 2.273 12.949 ( -1.664 -3.186 0.275) 3.605 13.002 ( -2.184 1.818 -0.766) 2.943 13.750 ( -0.345 1.127 -0.070) 1.181 13.961 ( 0.267 0.927 -0.353) 1.027 14.056 ( -0.747 1.063 -0.336) 1.342 14.449 ( 1.071 -1.875 0.757) 2.288 ======================= Grid point 16 (12/216) ======================= q-point: (-0.50 0.10 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.784 ( -0.000 -1.550 0.000) 1.550 2.790 ( 0.000 3.303 -0.000) 3.303 3.096 ( 0.000 1.201 -0.000) 1.201 3.375 ( 0.000 10.816 0.000) 10.816 3.629 ( 0.000 -18.217 0.000) 18.217 4.160 ( 0.000 -13.954 0.000) 13.954 4.343 ( 0.000 5.601 -0.000) 5.601 4.746 ( 0.000 13.033 -0.000) 13.033 4.829 ( 0.000 13.191 0.000) 13.191 5.217 ( 0.000 -2.496 0.000) 2.496 6.445 ( 0.000 -13.101 -0.000) 13.101 6.668 ( 0.000 -14.266 0.000) 14.266 7.196 ( 0.000 -11.535 -0.000) 11.535 7.472 ( 0.000 -19.187 0.000) 19.187 7.662 ( 0.000 2.463 0.000) 2.463 7.689 ( 0.000 9.508 0.000) 9.508 9.152 ( 0.000 0.766 -0.000) 0.766 9.214 ( 0.000 21.824 0.000) 21.824 10.371 ( 0.000 4.767 -0.000) 4.767 10.461 ( 0.000 -2.586 0.000) 2.586 11.713 ( 0.000 0.176 0.000) 0.176 11.871 ( 0.000 6.675 0.000) 6.675 12.362 ( 0.000 1.353 -0.000) 1.353 12.469 ( 0.000 -2.079 0.000) 2.079 12.932 ( 0.000 -2.689 0.000) 2.689 12.979 ( 0.000 1.997 0.000) 1.997 13.746 ( 0.000 1.090 -0.000) 1.090 13.963 ( 0.000 0.858 0.000) 0.858 14.048 ( 0.000 1.172 0.000) 1.172 14.460 ( 0.000 -2.098 0.000) 2.098 ======================= Grid point 22 (13/216) ======================= q-point: ( 0.00 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 0.000 36.545 0.000) 36.545 1.680 ( 0.000 39.761 0.000) 39.761 2.334 ( 0.000 54.244 0.000) 54.244 3.826 ( 0.000 0.496 0.000) 0.496 3.930 ( 0.000 1.857 0.000) 1.857 4.192 ( 0.000 -1.117 0.000) 1.117 4.287 ( 0.000 -8.030 0.000) 8.030 4.551 ( 0.000 -3.048 0.000) 3.048 4.713 ( 0.000 -13.807 0.000) 13.807 5.309 ( 0.000 -11.316 0.000) 11.316 5.432 ( 0.000 22.052 0.000) 22.052 6.811 ( 0.000 -11.824 0.000) 11.824 6.944 ( 0.000 13.506 0.000) 13.506 7.203 ( 0.000 3.163 0.000) 3.163 7.806 ( 0.000 -17.243 0.000) 17.243 8.322 ( 0.000 9.701 0.000) 9.701 9.175 ( 0.000 -8.048 0.000) 8.048 9.481 ( 0.000 11.817 0.000) 11.817 10.049 ( 0.000 -1.439 0.000) 1.439 10.400 ( 0.000 -10.161 0.000) 10.161 11.831 ( 0.000 5.415 0.000) 5.415 12.146 ( 0.000 4.125 0.000) 4.125 12.346 ( 0.000 0.127 0.000) 0.127 12.488 ( 0.000 -2.813 0.000) 2.813 12.911 ( 0.000 -9.710 0.000) 9.710 13.146 ( 0.000 -5.523 0.000) 5.523 13.813 ( 0.000 2.383 0.000) 2.383 14.000 ( 0.000 -1.567 0.000) 1.567 14.149 ( 0.000 1.479 0.000) 1.479 14.348 ( 0.000 0.374 0.000) 0.374 ======================= Grid point 23 (14/216) ======================= q-point: ( 0.10 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( 0.278 34.496 -2.503) 34.587 1.773 ( 12.937 35.662 -8.281) 38.830 2.638 ( 22.956 44.184 10.165) 50.819 3.706 ( -7.908 0.886 -1.580) 8.113 3.946 ( -1.355 -3.265 -5.057) 6.170 4.204 ( -0.740 -1.758 -2.946) 3.510 4.273 ( 0.945 -3.166 4.282) 5.408 4.610 ( 5.655 -6.844 -3.098) 9.403 4.735 ( 1.713 -9.026 -1.506) 9.310 5.216 ( -9.496 12.950 13.363) 20.891 5.483 ( 5.905 -1.935 -5.320) 8.180 6.820 ( 2.463 -14.321 -14.529) 20.548 7.010 ( -0.053 7.864 14.254) 16.279 7.158 ( -2.429 -0.552 5.371) 5.921 7.798 ( -1.499 -11.981 7.579) 14.256 8.360 ( 1.710 8.588 2.547) 9.119 9.150 ( -0.318 -5.265 -5.835) 7.866 9.454 ( -1.926 9.713 -1.918) 10.086 10.105 ( 4.774 -1.179 -0.581) 4.952 10.406 ( 0.976 -8.439 -1.996) 8.727 11.826 ( -0.601 4.861 0.948) 4.989 12.130 ( -1.531 4.859 0.138) 5.096 12.346 ( 0.110 0.151 -0.075) 0.201 12.487 ( 0.058 -2.560 -1.209) 2.831 12.907 ( -0.385 -9.444 0.175) 9.454 13.136 ( -0.882 -4.724 -0.429) 4.825 13.811 ( -0.289 2.338 0.554) 2.420 13.991 ( -0.643 -0.726 -0.672) 1.180 14.141 ( -0.685 1.496 -0.444) 1.704 14.352 ( 0.385 -0.013 0.445) 0.588 ======================= Grid point 24 (15/216) ======================= q-point: ( 0.20 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.711 ( 15.929 19.385 -2.519) 25.216 2.083 ( 20.319 27.755 -8.448) 35.420 3.099 ( 17.876 24.981 8.036) 31.752 3.561 ( -5.908 -3.680 -1.972) 7.235 3.858 ( -4.400 0.920 -5.659) 7.227 4.148 ( -3.111 -2.255 2.102) 4.380 4.340 ( 2.447 6.595 0.270) 7.040 4.655 ( -1.392 -7.337 -9.862) 12.370 4.783 ( 6.094 -6.726 -2.481) 9.409 5.126 ( -2.727 19.688 19.590) 27.907 5.631 ( 9.882 -14.063 -1.376) 17.243 6.788 ( -2.078 -18.264 -14.489) 23.406 6.866 ( -13.242 -8.461 6.776) 17.113 7.263 ( 6.357 2.251 12.159) 13.904 7.793 ( -3.095 -4.952 15.078) 16.169 8.326 ( -6.550 4.673 1.766) 8.238 9.195 ( 7.185 4.808 -4.466) 9.731 9.404 ( -2.017 5.800 -6.196) 8.724 10.194 ( 4.249 -2.101 -1.277) 4.909 10.432 ( 2.457 -3.074 -2.614) 4.725 11.812 ( -1.211 3.677 1.073) 4.017 12.094 ( -2.087 6.512 0.637) 6.868 12.352 ( 0.549 0.260 -0.312) 0.683 12.480 ( -0.433 -2.067 -1.800) 2.775 12.896 ( -0.894 -8.477 0.247) 8.528 13.109 ( -1.663 -2.762 -0.741) 3.308 13.804 ( -0.536 2.301 0.655) 2.452 13.979 ( -0.197 0.374 -0.954) 1.044 14.123 ( -1.003 1.524 -0.492) 1.890 14.365 ( 0.693 -1.017 0.718) 1.425 ======================= Grid point 25 (16/216) ======================= q-point: ( 0.30 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.092 ( 22.045 6.941 -3.496) 23.375 2.478 ( 21.505 18.453 -6.197) 29.007 3.278 ( -0.641 1.531 0.841) 1.860 3.475 ( -2.200 -6.322 -2.751) 7.237 3.756 ( -5.729 9.081 -5.217) 11.937 4.096 ( -5.371 -3.378 7.746) 10.013 4.360 ( 2.142 16.852 0.527) 16.996 4.646 ( 5.473 -1.890 -9.136) 10.817 4.909 ( 5.943 -5.083 3.436) 8.541 5.202 ( 3.775 13.460 11.846) 18.324 5.837 ( 10.808 -18.572 1.038) 21.513 6.590 ( -13.262 -13.965 5.931) 20.151 6.708 ( -3.102 -23.138 -14.563) 27.515 7.390 ( 1.415 -2.544 10.142) 10.551 7.741 ( -6.778 -1.602 17.696) 19.017 8.161 ( -8.601 5.112 -1.315) 10.091 9.300 ( -2.976 6.468 4.010) 8.171 9.406 ( 10.485 12.369 -12.826) 20.674 10.268 ( 4.089 -4.023 -2.314) 6.186 10.477 ( 2.182 2.505 -1.074) 3.491 11.787 ( -1.536 3.022 0.537) 3.432 12.059 ( -1.701 8.047 1.051) 8.292 12.365 ( 0.945 0.493 -0.496) 1.176 12.460 ( -1.011 -1.761 -1.686) 2.639 12.876 ( -1.098 -7.067 0.203) 7.154 13.071 ( -1.938 -0.564 -0.757) 2.156 13.794 ( -0.626 2.341 0.446) 2.464 13.978 ( 0.276 0.899 -0.833) 1.257 14.102 ( -0.951 1.680 -0.342) 1.960 14.382 ( 0.781 -2.231 0.721) 2.471 ======================= Grid point 26 (17/216) ======================= q-point: ( 0.40 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.493 ( 19.484 1.610 -4.433) 20.047 2.841 ( 14.804 11.360 -1.238) 18.702 3.170 ( -7.367 -5.512 -2.243) 9.471 3.432 ( -3.564 -3.380 -4.003) 6.336 3.628 ( -3.019 9.025 -1.735) 9.674 3.989 ( -6.461 -3.763 5.715) 9.411 4.387 ( -0.729 2.224 0.679) 2.437 4.806 ( 10.402 7.512 -5.852) 14.102 5.032 ( 4.962 0.762 10.993) 12.085 5.268 ( -0.028 11.814 -0.491) 11.824 6.025 ( 6.188 -21.181 4.450) 22.510 6.404 ( -6.412 -16.431 0.827) 17.658 6.674 ( 6.289 -26.200 -12.698) 29.786 7.264 ( -17.238 -17.683 11.236) 27.130 7.741 ( 3.343 8.123 10.150) 13.423 8.014 ( -6.357 10.020 -1.975) 12.030 9.226 ( -3.316 3.678 -0.889) 5.032 9.584 ( 8.124 20.094 -4.232) 22.083 10.340 ( 3.737 -4.996 -2.056) 6.569 10.497 ( -0.036 5.403 0.301) 5.411 11.761 ( -1.076 3.319 0.105) 3.491 12.036 ( -0.892 8.808 0.809) 8.890 12.384 ( 1.050 0.859 -0.381) 1.409 12.434 ( -1.159 -1.815 -1.016) 2.381 12.857 ( -0.792 -5.878 0.111) 5.932 13.036 ( -1.316 1.035 -0.467) 1.738 13.785 ( -0.424 2.382 0.197) 2.427 13.982 ( 0.267 1.122 -0.474) 1.247 14.086 ( -0.555 1.914 -0.157) 2.000 14.397 ( 0.523 -3.180 0.445) 3.254 ======================= Grid point 27 (18/216) ======================= q-point: (-0.50 0.20 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.762 ( 0.000 -2.588 0.000) 2.588 2.889 ( 0.000 6.389 -0.000) 6.389 3.150 ( 0.000 4.328 -0.000) 4.328 3.328 ( 0.000 -7.530 0.000) 7.530 3.633 ( 0.000 13.398 0.000) 13.398 3.919 ( 0.000 -9.391 0.000) 9.391 4.372 ( 0.000 -1.403 -0.000) 1.403 4.905 ( 0.000 0.366 0.000) 0.366 5.153 ( 0.000 17.294 0.000) 17.294 5.215 ( -0.000 4.592 -0.000) 4.592 6.085 ( 0.000 -22.151 0.000) 22.151 6.341 ( 0.000 -17.611 0.000) 17.611 6.910 ( -0.000 -31.561 0.000) 31.561 6.912 ( 0.000 -16.626 -0.000) 16.626 7.845 ( 0.000 10.750 0.000) 10.750 7.904 ( 0.000 11.495 0.000) 11.495 9.190 ( 0.000 3.423 -0.000) 3.423 9.661 ( 0.000 21.787 0.000) 21.787 10.380 ( 0.000 -5.575 0.000) 5.575 10.491 ( -0.000 6.641 0.000) 6.641 11.750 ( 0.000 3.645 0.000) 3.645 12.029 ( 0.000 8.981 -0.000) 8.981 12.399 ( 0.000 2.325 0.000) 2.325 12.416 ( 0.000 -3.183 0.000) 3.183 12.849 ( 0.000 -5.421 0.000) 5.421 13.021 ( 0.000 1.597 0.000) 1.597 13.781 ( 0.000 2.391 0.000) 2.391 13.984 ( 0.000 1.192 0.000) 1.192 14.080 ( 0.000 2.028 0.000) 2.028 14.403 ( 0.000 -3.534 0.000) 3.534 ======================= Grid point 33 (19/216) ======================= q-point: ( 0.00 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.258 ( 0.000 30.710 0.000) 30.710 2.421 ( 0.000 34.882 0.000) 34.882 3.263 ( 0.000 35.493 0.000) 35.493 3.823 ( 0.000 -1.916 0.000) 1.916 3.885 ( 0.000 -7.087 0.000) 7.087 4.178 ( 0.000 -1.478 0.000) 1.478 4.204 ( 0.000 2.422 0.000) 2.422 4.381 ( 0.000 -13.958 0.000) 13.958 4.588 ( 0.000 5.796 0.000) 5.796 5.193 ( 0.000 -0.483 0.000) 0.483 5.844 ( 0.000 17.207 0.000) 17.207 6.553 ( 0.000 -12.396 0.000) 12.396 7.008 ( 0.000 -22.550 0.000) 22.550 7.125 ( 0.000 4.225 0.000) 4.225 7.723 ( 0.000 8.370 0.000) 8.370 8.474 ( 0.000 3.674 0.000) 3.674 9.066 ( 0.000 -0.808 0.000) 0.808 9.677 ( 0.000 7.603 0.000) 7.603 10.023 ( 0.000 -1.165 0.000) 1.165 10.167 ( 0.000 -12.891 0.000) 12.891 11.947 ( 0.000 6.392 0.000) 6.392 12.258 ( 0.000 6.913 0.000) 6.913 12.349 ( 0.000 0.501 0.000) 0.501 12.424 ( 0.000 -3.444 0.000) 3.444 12.708 ( 0.000 -10.571 0.000) 10.571 13.013 ( 0.000 -7.813 0.000) 7.813 13.856 ( 0.000 2.006 0.000) 2.006 13.969 ( 0.000 -1.499 0.000) 1.499 14.183 ( 0.000 1.942 0.000) 1.942 14.344 ( 0.000 -0.856 0.000) 0.856 ======================= Grid point 34 (20/216) ======================= q-point: ( 0.10 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.208 ( -5.102 30.592 0.666) 31.022 2.453 ( 7.235 32.442 -9.644) 34.610 3.376 ( 6.527 25.731 7.199) 27.505 3.719 ( -8.279 -1.039 -7.134) 10.978 3.887 ( 0.843 -2.148 1.240) 2.619 4.095 ( -3.107 -7.785 2.977) 8.896 4.310 ( 6.893 7.495 -0.961) 10.228 4.452 ( 5.015 -11.381 1.733) 12.557 4.628 ( 3.362 4.133 -0.644) 5.366 5.235 ( 4.544 -1.480 -0.473) 4.803 5.757 ( -9.110 17.976 4.177) 20.582 6.507 ( -2.476 -15.148 -12.653) 19.892 6.887 ( -11.371 -18.923 3.370) 22.333 7.182 ( 2.648 1.311 11.435) 11.810 7.732 ( -0.188 4.659 8.592) 9.776 8.452 ( -4.428 -1.266 2.288) 5.142 9.136 ( 9.388 5.657 -5.276) 12.164 9.641 ( -3.109 8.600 -2.068) 9.376 10.069 ( 3.613 -2.408 -2.057) 4.804 10.214 ( 5.432 -10.695 -1.247) 12.059 11.934 ( -1.298 6.127 0.485) 6.282 12.253 ( -0.618 7.237 0.637) 7.291 12.347 ( -0.110 -0.087 -0.042) 0.146 12.435 ( 1.010 -2.381 -1.077) 2.802 12.709 ( 0.204 -10.299 -0.025) 10.301 13.017 ( 0.379 -7.318 -0.065) 7.329 13.856 ( -0.174 2.123 0.504) 2.189 13.971 ( 0.244 -1.188 -0.546) 1.330 14.176 ( -0.658 2.007 -0.140) 2.117 14.342 ( -0.196 -1.080 0.185) 1.113 ======================= Grid point 35 (21/216) ======================= q-point: ( 0.20 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.154 ( 1.161 24.198 0.537) 24.231 2.628 ( 12.711 25.665 -11.441) 30.841 3.426 ( -4.328 8.057 9.182) 12.960 3.536 ( -6.207 0.755 -10.220) 11.981 3.946 ( 3.318 6.320 2.475) 7.555 4.070 ( -1.560 -6.609 4.701) 8.259 4.431 ( 5.225 -5.749 -4.541) 8.999 4.602 ( 10.110 -1.032 -0.761) 10.191 4.677 ( 2.868 11.102 0.183) 11.468 5.362 ( 8.416 -6.694 -3.738) 11.384 5.558 ( -12.271 16.187 14.235) 24.804 6.390 ( -4.818 -20.319 -18.417) 27.843 6.625 ( -15.848 -14.530 5.405) 22.170 7.262 ( 0.248 -4.617 14.752) 15.459 7.756 ( -1.268 1.760 13.965) 14.133 8.318 ( -7.709 -4.513 0.814) 8.970 9.396 ( 17.170 14.113 -4.987) 22.778 9.554 ( -4.751 8.657 -3.677) 10.537 10.118 ( 2.691 -5.126 -4.606) 7.398 10.357 ( 8.440 -4.808 -0.587) 9.731 11.905 ( -1.718 5.820 0.657) 6.104 12.240 ( -0.919 7.871 1.088) 7.998 12.348 ( 0.300 -0.934 -0.605) 1.153 12.449 ( 0.613 -0.561 -1.253) 1.503 12.716 ( 0.408 -9.376 -0.054) 9.385 13.024 ( 0.284 -5.999 -0.174) 6.008 13.852 ( -0.327 2.443 0.682) 2.557 13.977 ( 0.591 -0.546 -0.868) 1.184 14.160 ( -0.942 2.140 -0.116) 2.341 14.338 ( -0.291 -1.703 0.345) 1.762 ======================= Grid point 36 (22/216) ======================= q-point: ( 0.30 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.268 ( 9.737 11.516 -0.174) 15.082 2.846 ( 12.173 15.762 -7.341) 21.226 3.307 ( -9.197 1.902 5.126) 10.699 3.456 ( 1.083 5.613 -7.500) 9.430 3.954 ( -3.473 9.625 -2.069) 10.440 4.044 ( -2.874 -2.393 6.569) 7.560 4.438 ( -2.515 -7.358 -8.695) 11.665 4.737 ( 6.604 -10.525 0.609) 12.440 4.865 ( 12.111 21.629 -0.693) 24.799 5.421 ( -3.701 0.461 16.179) 16.603 5.531 ( 7.446 -4.343 1.817) 8.810 6.222 ( -5.660 -24.161 -19.685) 31.674 6.341 ( -13.933 -10.990 3.853) 18.159 7.194 ( -13.466 -16.555 15.535) 26.395 7.790 ( 2.460 6.185 11.570) 13.348 8.221 ( -2.556 1.058 0.928) 2.918 9.441 ( -5.513 8.385 -2.567) 10.358 9.717 ( 15.983 16.684 -5.391) 23.726 10.159 ( 2.993 -6.619 -3.657) 8.133 10.504 ( 6.223 -0.209 -0.460) 6.243 11.877 ( -1.294 6.032 0.571) 6.196 12.226 ( -0.789 8.532 1.154) 8.646 12.352 ( 0.284 -2.107 -1.158) 2.421 12.452 ( 0.131 1.373 -0.848) 1.619 12.723 ( 0.361 -8.015 -0.058) 8.023 13.025 ( -0.088 -4.324 -0.237) 4.331 13.847 ( -0.403 2.867 0.543) 2.946 13.988 ( 0.767 0.035 -0.867) 1.158 14.142 ( -0.812 2.283 0.002) 2.423 14.333 ( -0.247 -2.551 0.404) 2.595 ======================= Grid point 37 (23/216) ======================= q-point: ( 0.40 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.488 ( 11.900 -0.664 -2.077) 12.099 3.057 ( 7.433 2.120 3.643) 8.545 3.134 ( -6.097 7.403 1.251) 9.671 3.481 ( 0.859 9.075 -9.024) 12.827 3.847 ( -3.049 13.057 -6.437) 14.874 3.985 ( -5.485 2.898 7.183) 9.491 4.351 ( -3.259 -4.585 -3.422) 6.584 4.808 ( 0.426 -7.342 -1.248) 7.460 5.110 ( 12.719 2.997 1.931) 13.209 5.451 ( -0.315 4.692 13.600) 14.390 5.665 ( 4.053 -9.570 2.181) 10.619 6.103 ( -5.705 -20.514 -10.600) 23.785 6.154 ( 2.643 -17.810 -9.042) 20.148 6.867 ( -22.246 -21.531 14.162) 34.044 7.922 ( 7.064 9.485 7.120) 13.804 8.180 ( -2.904 6.285 0.636) 6.952 9.339 ( -3.721 7.796 -2.322) 8.945 9.947 ( 8.262 14.736 -3.309) 17.216 10.219 ( 3.781 -5.760 -1.277) 7.007 10.586 ( 2.305 2.935 -0.281) 3.742 11.860 ( -0.558 6.583 0.341) 6.616 12.217 ( -0.421 9.144 0.768) 9.186 12.350 ( -0.089 -3.344 -1.038) 3.502 12.453 ( 0.182 2.971 -0.342) 2.996 12.728 ( 0.112 -6.893 -0.026) 6.894 13.021 ( -0.228 -2.949 -0.172) 2.962 13.841 ( -0.292 3.229 0.276) 3.254 13.999 ( 0.526 0.432 -0.543) 0.871 14.130 ( -0.431 2.402 0.056) 2.441 14.331 ( -0.128 -3.301 0.281) 3.315 ======================= Grid point 38 (24/216) ======================= q-point: (-0.50 0.30 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.637 ( 0.000 -7.756 0.000) 7.756 2.986 ( 0.000 0.372 -0.000) 0.372 3.264 ( -0.000 7.821 -0.000) 7.821 3.397 ( 0.000 12.616 0.000) 12.616 3.865 ( -0.000 6.182 0.000) 6.182 3.893 ( 0.000 11.986 0.000) 11.986 4.313 ( 0.000 -4.098 -0.000) 4.098 4.800 ( 0.000 -8.508 0.000) 8.508 5.281 ( 0.000 -6.549 0.000) 6.549 5.447 ( 0.000 11.153 -0.000) 11.153 5.692 ( 0.000 -10.174 0.000) 10.174 6.006 ( 0.000 -16.902 -0.000) 16.902 6.301 ( -0.000 -27.338 0.000) 27.338 6.560 ( 0.000 -18.356 -0.000) 18.356 8.046 ( 0.000 9.246 0.000) 9.246 8.114 ( 0.000 9.133 0.000) 9.133 9.297 ( 0.000 7.520 -0.000) 7.520 10.019 ( 0.000 11.156 0.000) 11.156 10.265 ( 0.000 -3.121 0.000) 3.121 10.604 ( 0.000 4.212 0.000) 4.212 11.855 ( 0.000 6.873 0.000) 6.873 12.214 ( 0.000 9.432 -0.000) 9.432 12.347 ( 0.000 -3.786 0.000) 3.786 12.455 ( 0.000 3.487 0.000) 3.487 12.729 ( 0.000 -6.474 0.000) 6.474 13.018 ( 0.000 -2.424 0.000) 2.424 13.838 ( 0.000 3.370 0.000) 3.370 14.004 ( 0.000 0.581 0.000) 0.581 14.126 ( 0.000 2.448 -0.000) 2.448 14.330 ( 0.000 -3.603 0.000) 3.603 ======================= Grid point 44 (25/216) ======================= q-point: ( 0.00 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.806 ( 0.000 24.919 0.000) 24.919 3.049 ( 0.000 28.564 0.000) 28.564 3.581 ( 0.000 -5.912 0.000) 5.912 3.681 ( 0.000 -5.361 0.000) 5.361 3.750 ( 0.000 -4.236 0.000) 4.236 3.964 ( 0.000 -19.234 0.000) 19.234 4.241 ( 0.000 6.651 0.000) 6.651 4.459 ( 0.000 3.738 0.000) 3.738 4.899 ( 0.000 29.789 0.000) 29.789 5.315 ( 0.000 13.395 0.000) 13.395 5.904 ( 0.000 -12.908 0.000) 12.908 6.354 ( 0.000 -23.232 0.000) 23.232 6.634 ( 0.000 3.526 0.000) 3.526 7.101 ( 0.000 -6.513 0.000) 6.513 7.961 ( 0.000 13.538 0.000) 13.538 8.424 ( 0.000 -7.691 0.000) 7.691 9.187 ( 0.000 11.784 0.000) 11.784 9.720 ( 0.000 -6.732 0.000) 6.732 9.962 ( 0.000 -4.003 0.000) 4.003 10.001 ( 0.000 -1.160 0.000) 1.160 12.087 ( 0.000 7.834 0.000) 7.834 12.336 ( 0.000 0.885 0.000) 0.885 12.356 ( 0.000 -3.597 0.000) 3.597 12.445 ( 0.000 9.236 0.000) 9.236 12.503 ( 0.000 -9.694 0.000) 9.694 12.840 ( 0.000 -9.524 0.000) 9.524 13.891 ( 0.000 1.528 0.000) 1.528 13.942 ( 0.000 -1.261 0.000) 1.261 14.225 ( 0.000 2.268 0.000) 2.268 14.315 ( 0.000 -1.936 0.000) 1.936 ======================= Grid point 45 (26/216) ======================= q-point: ( 0.10 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.753 ( -5.810 24.470 1.081) 25.174 3.022 ( 0.256 23.415 -7.106) 24.471 3.609 ( -2.907 2.002 6.559) 7.448 3.652 ( -2.631 -4.709 -2.939) 6.143 3.741 ( 3.434 -9.917 -1.573) 10.612 3.963 ( 0.901 -10.221 0.659) 10.282 4.292 ( 3.484 -0.131 1.347) 3.738 4.472 ( 1.348 1.677 -0.647) 2.247 4.961 ( 5.572 28.872 4.198) 29.703 5.314 ( 1.031 10.961 -8.235) 13.748 5.854 ( -4.836 -11.699 -1.615) 12.761 6.273 ( -7.310 -19.375 -2.510) 20.860 6.580 ( -6.269 3.211 2.635) 7.520 7.110 ( -1.342 -8.808 9.062) 12.709 7.896 ( -5.680 10.575 8.582) 14.756 8.330 ( -8.989 -9.459 4.272) 13.730 9.347 ( 15.884 13.767 -6.666) 22.052 9.767 ( 2.186 2.245 -4.759) 5.698 9.981 ( 3.473 -7.255 -6.534) 10.363 10.037 ( 4.049 -4.549 5.920) 8.493 12.072 ( -1.425 7.742 -0.004) 7.872 12.325 ( -0.791 -1.925 -0.778) 2.222 12.362 ( 0.350 0.738 0.183) 0.837 12.463 ( 1.539 7.752 0.442) 7.916 12.513 ( 1.040 -9.003 -0.033) 9.063 12.850 ( 0.925 -9.419 0.136) 9.465 13.893 ( 0.154 1.676 0.185) 1.693 13.947 ( 0.543 -1.201 -0.384) 1.373 14.220 ( -0.586 2.323 0.158) 2.401 14.311 ( -0.468 -1.999 0.184) 2.061 ======================= Grid point 46 (27/216) ======================= q-point: ( 0.20 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.627 ( -6.439 22.697 3.247) 23.815 3.018 ( 0.199 11.099 -5.158) 12.240 3.509 ( -7.382 2.028 3.585) 8.453 3.611 ( 1.694 7.574 -4.249) 8.848 3.837 ( 4.055 -13.596 2.245) 14.364 4.026 ( 5.370 -0.453 -2.284) 5.853 4.337 ( 0.695 -3.451 0.255) 3.530 4.501 ( 1.504 -3.842 -0.630) 4.174 5.132 ( 9.803 24.137 7.947) 27.237 5.291 ( -0.014 4.456 -19.719) 20.216 5.715 ( -8.726 -7.845 2.110) 11.922 6.088 ( -9.787 -11.722 -3.716) 15.716 6.404 ( -12.458 0.480 5.881) 13.785 7.050 ( -9.781 -16.047 14.108) 23.499 7.859 ( -0.485 7.826 10.821) 13.363 8.194 ( -4.119 -7.430 4.391) 9.563 9.671 ( 14.341 11.310 -14.813) 23.516 9.744 ( 1.149 11.303 4.553) 12.240 10.007 ( 1.586 -5.598 -6.311) 8.584 10.230 ( 12.101 -8.224 1.791) 14.741 12.041 ( -1.543 7.736 0.143) 7.889 12.305 ( -0.949 -3.587 -1.160) 3.887 12.369 ( 0.327 3.867 0.271) 3.890 12.497 ( 1.557 6.187 0.703) 6.419 12.542 ( 1.843 -7.228 -0.320) 7.466 12.873 ( 1.302 -9.044 0.120) 9.138 13.898 ( 0.239 2.095 0.237) 2.122 13.960 ( 0.960 -1.076 -0.659) 1.586 14.205 ( -0.883 2.424 0.315) 2.599 14.299 ( -0.781 -2.170 0.363) 2.335 ======================= Grid point 47 (28/216) ======================= q-point: ( 0.30 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.545 ( -2.956 15.759 3.429) 16.396 2.995 ( -2.259 -1.200 4.514) 5.188 3.382 ( -5.022 6.482 0.879) 8.247 3.694 ( 7.071 14.559 -7.482) 17.830 3.913 ( 3.327 -10.619 2.872) 11.493 4.110 ( 2.806 6.684 -1.903) 7.495 4.335 ( -0.215 -2.852 -3.475) 4.501 4.535 ( 2.729 -9.098 0.968) 9.547 5.157 ( -6.998 -0.545 -24.384) 25.374 5.370 ( 11.176 11.483 9.253) 18.504 5.576 ( -5.365 -5.925 2.611) 8.408 5.897 ( -8.258 -3.915 -3.749) 9.879 6.170 ( -12.323 -3.629 6.141) 14.239 6.798 ( -19.505 -22.225 15.504) 33.388 7.943 ( 5.682 8.527 8.752) 13.476 8.202 ( 2.213 -3.057 4.343) 5.753 9.621 ( -4.634 9.495 -4.906) 11.648 9.955 ( 4.520 -1.703 -7.162) 8.639 10.084 ( 11.621 7.792 -0.244) 13.994 10.454 ( 9.854 -5.056 -0.382) 11.082 12.018 ( -0.862 7.873 0.274) 7.925 12.284 ( -0.814 -4.332 -1.035) 4.528 12.375 ( 0.271 5.410 0.182) 5.420 12.526 ( 1.263 6.059 0.373) 6.200 12.576 ( 1.541 -5.934 -0.240) 6.136 12.897 ( 1.060 -8.416 0.007) 8.483 13.903 ( 0.213 2.689 0.173) 2.703 13.979 ( 1.070 -0.969 -0.733) 1.618 14.189 ( -0.802 2.462 0.387) 2.618 14.284 ( -0.815 -2.408 0.461) 2.584 ======================= Grid point 48 (29/216) ======================= q-point: ( 0.40 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.532 ( 0.761 5.774 1.170) 5.940 2.932 ( -6.199 -10.270 7.593) 14.197 3.382 ( 4.928 13.995 1.944) 14.965 3.763 ( 0.614 15.188 -7.118) 16.784 3.984 ( 3.240 -4.199 0.677) 5.347 4.131 ( 0.671 13.599 -0.555) 13.627 4.308 ( -1.130 2.110 -3.160) 3.964 4.615 ( 3.357 -11.120 -0.611) 11.632 4.952 ( -5.487 -10.729 -9.158) 15.136 5.491 ( -0.813 -20.195 -10.157) 22.620 5.609 ( 6.657 7.697 11.611) 15.439 5.757 ( -4.537 1.736 -3.283) 5.863 5.999 ( -4.772 -3.621 1.006) 6.074 6.444 ( -19.595 -20.469 13.733) 31.488 8.097 ( 6.950 7.903 5.401) 11.829 8.253 ( 0.972 0.971 2.644) 2.980 9.525 ( -3.519 10.681 -2.978) 11.633 9.963 ( 0.123 -9.499 -3.434) 10.101 10.310 ( 9.096 11.377 -0.632) 14.580 10.596 ( 4.749 -2.106 -0.511) 5.220 12.008 ( -0.211 7.977 0.227) 7.983 12.269 ( -0.444 -4.641 -0.583) 4.699 12.380 ( 0.127 6.457 0.048) 6.458 12.547 ( 0.842 6.856 0.026) 6.907 12.597 ( 0.684 -5.812 -0.037) 5.852 12.913 ( 0.528 -7.806 -0.050) 7.824 13.907 ( 0.114 3.239 0.080) 3.242 13.995 ( 0.720 -0.896 -0.505) 1.255 14.178 ( -0.449 2.421 0.274) 2.477 14.272 ( -0.528 -2.633 0.347) 2.708 ======================= Grid point 49 (30/216) ======================= q-point: (-0.50 0.40 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 180 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.553 ( 0.000 0.327 -0.000) 0.327 2.862 ( 0.000 -10.627 -0.000) 10.627 3.482 ( -0.000 13.351 -0.000) 13.351 3.717 ( 0.000 16.667 0.000) 16.667 4.022 ( 0.000 -1.159 -0.000) 1.159 4.141 ( 0.000 17.390 0.000) 17.390 4.292 ( 0.000 5.552 0.000) 5.552 4.619 ( 0.000 -8.597 0.000) 8.597 4.923 ( 0.000 -20.362 0.000) 20.362 5.455 ( 0.000 -23.541 0.000) 23.541 5.669 ( 0.000 -1.010 0.000) 1.010 5.724 ( 0.000 5.619 -0.000) 5.619 6.011 ( -0.000 -4.081 0.000) 4.081 6.213 ( 0.000 -15.819 -0.000) 15.819 8.199 ( 0.000 5.978 0.000) 5.978 8.247 ( 0.000 4.088 0.000) 4.088 9.483 ( 0.000 11.076 0.000) 11.076 9.958 ( 0.000 -10.783 0.000) 10.783 10.401 ( 0.000 10.637 0.000) 10.637 10.640 ( 0.000 -0.799 0.000) 0.799 12.007 ( 0.000 8.001 0.000) 8.001 12.264 ( 0.000 -4.714 0.000) 4.714 12.381 ( 0.000 6.888 0.000) 6.888 12.556 ( 0.000 7.374 0.000) 7.374 12.603 ( 0.000 -6.021 0.000) 6.021 12.918 ( 0.000 -7.554 0.000) 7.554 13.908 ( 0.000 3.466 0.000) 3.466 14.002 ( 0.000 -0.866 -0.000) 0.866 14.174 ( 0.000 2.386 -0.000) 2.386 14.267 ( 0.000 -2.729 0.000) 2.729 ======================= Grid point 55 (31/216) ======================= q-point: ( 0.00 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.252 ( 0.000 -20.362 0.000) 20.362 3.252 ( 0.000 20.362 0.000) 20.362 3.551 ( 0.000 -22.237 0.000) 22.237 3.551 ( 0.000 22.237 0.000) 22.237 3.692 ( 0.000 -1.314 0.000) 1.314 3.692 ( 0.000 1.314 0.000) 1.314 4.391 ( 0.000 -7.352 0.000) 7.352 4.391 ( 0.000 7.352 0.000) 7.352 5.515 ( 0.000 -25.482 0.000) 25.482 5.515 ( 0.000 25.482 0.000) 25.482 5.742 ( 0.000 -30.619 0.000) 30.619 5.742 ( 0.000 30.619 0.000) 30.619 6.889 ( 0.000 -14.081 0.000) 14.081 6.889 ( 0.000 14.081 0.000) 14.081 8.221 ( 0.000 -12.186 0.000) 12.186 8.221 ( 0.000 12.186 0.000) 12.186 9.466 ( 0.000 -15.210 0.000) 15.210 9.466 ( 0.000 15.210 0.000) 15.210 9.972 ( 0.000 -1.844 0.000) 1.844 9.972 ( 0.000 1.844 0.000) 1.844 12.249 ( 0.000 -7.834 0.000) 7.834 12.249 ( 0.000 7.834 0.000) 7.834 12.367 ( 0.000 -3.204 0.000) 3.204 12.367 ( 0.000 3.204 0.000) 3.204 12.642 ( 0.000 -10.283 0.000) 10.283 12.642 ( 0.000 10.283 0.000) 10.283 13.918 ( 0.000 -1.231 0.000) 1.231 13.918 ( 0.000 1.231 0.000) 1.231 14.272 ( 0.000 -2.358 0.000) 2.358 14.272 ( 0.000 2.358 0.000) 2.358 ======================= Grid point 57 (32/216) ======================= q-point: ( 0.10 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.153 ( -7.642 -13.330 -0.501) 15.374 3.153 ( -7.642 13.330 -0.501) 15.374 3.621 ( 0.847 -4.290 0.619) 4.416 3.621 ( 0.847 4.290 0.619) 4.416 3.700 ( 5.118 -10.031 -0.450) 11.270 3.700 ( 5.118 10.031 -0.450) 11.270 4.394 ( 0.211 -7.027 -0.401) 7.041 4.394 ( 0.211 7.027 -0.401) 7.041 5.499 ( -1.621 -21.388 -2.326) 21.575 5.499 ( -1.621 21.388 -2.326) 21.575 5.723 ( -1.066 -29.359 -2.792) 29.510 5.723 ( -1.066 29.359 -2.792) 29.510 6.854 ( -5.371 -16.031 6.221) 18.015 6.854 ( -5.371 16.031 6.221) 18.015 8.118 ( -8.692 -11.406 6.947) 15.935 8.118 ( -8.692 11.406 6.947) 15.935 9.625 ( 15.022 -13.299 -8.414) 21.756 9.625 ( 15.022 13.299 -8.414) 21.756 9.964 ( -0.744 -3.342 2.076) 4.004 9.964 ( -0.744 3.342 2.076) 4.004 12.229 ( -1.578 -7.474 -0.654) 7.667 12.229 ( -1.578 7.474 -0.654) 7.667 12.389 ( 1.801 -3.074 0.290) 3.575 12.389 ( 1.801 3.074 0.290) 3.575 12.653 ( 0.977 -10.250 0.316) 10.301 12.653 ( 0.977 10.250 0.316) 10.301 13.922 ( 0.457 -1.321 -0.139) 1.405 13.922 ( 0.457 1.321 -0.139) 1.405 14.267 ( -0.537 -2.379 0.252) 2.452 14.267 ( -0.537 2.379 0.252) 2.452 ======================= Grid point 59 (33/216) ======================= q-point: ( 0.20 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.998 ( -8.536 -12.438 3.701) 15.533 2.998 ( -8.536 12.438 3.701) 15.533 3.579 ( -2.347 -6.731 0.577) 7.152 3.579 ( -2.347 6.731 0.577) 7.152 3.873 ( 10.764 -12.691 -3.618) 17.030 3.873 ( 10.764 12.691 -3.618) 17.030 4.389 ( -0.698 -6.943 -0.627) 7.006 4.389 ( -0.698 6.943 -0.627) 7.006 5.417 ( -4.988 -12.980 -11.705) 18.176 5.417 ( -4.988 12.980 -11.705) 18.176 5.712 ( 0.558 -22.996 1.703) 23.066 5.712 ( 0.558 22.996 1.703) 23.066 6.680 ( -15.395 -19.746 11.851) 27.702 6.680 ( -15.395 19.746 11.851) 27.702 8.031 ( -1.283 -8.892 8.055) 12.067 8.031 ( -1.283 8.892 8.055) 12.067 9.835 ( 4.371 -5.759 -12.024) 14.030 9.835 ( 4.371 5.759 -12.024) 14.030 10.036 ( 10.992 -10.518 4.385) 15.833 10.036 ( 10.992 10.518 4.385) 15.833 12.196 ( -1.504 -7.304 -0.698) 7.490 12.196 ( -1.504 7.304 -0.698) 7.490 12.428 ( 1.932 -3.545 0.233) 4.043 12.428 ( 1.932 3.545 0.233) 4.043 12.679 ( 1.501 -10.159 0.321) 10.274 12.679 ( 1.501 10.159 0.321) 10.274 13.934 ( 0.781 -1.579 -0.273) 1.783 13.934 ( 0.781 1.579 -0.273) 1.783 14.253 ( -0.873 -2.404 0.468) 2.600 14.253 ( -0.873 2.404 0.468) 2.600 ======================= Grid point 61 (34/216) ======================= q-point: ( 0.30 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.843 ( -8.804 -12.841 6.449) 16.852 2.843 ( -8.804 12.841 6.449) 16.852 3.580 ( 2.400 -13.276 2.092) 13.652 3.580 ( 2.400 13.276 2.092) 13.652 4.070 ( 10.275 -13.537 -5.125) 17.750 4.070 ( 10.275 13.537 -5.125) 17.750 4.363 ( -1.389 -8.531 -0.807) 8.681 4.363 ( -1.389 8.531 -0.807) 8.681 5.246 ( -7.215 -11.906 -19.868) 24.260 5.246 ( -7.215 11.906 -19.868) 24.260 5.745 ( 1.112 -13.663 5.789) 14.880 5.745 ( 1.112 13.663 5.789) 14.880 6.366 ( -19.100 -19.746 14.444) 31.038 6.366 ( -19.100 19.746 14.444) 31.038 8.101 ( 5.010 -6.914 6.762) 10.892 8.101 ( 5.010 6.914 6.762) 10.892 9.807 ( -2.173 -9.110 -5.978) 11.111 9.807 ( -2.173 9.110 -5.978) 11.111 10.303 ( 12.988 -10.083 -0.518) 16.451 10.303 ( 12.988 10.083 -0.518) 16.451 12.170 ( -0.910 -7.077 -0.505) 7.153 12.170 ( -0.910 7.077 -0.505) 7.153 12.462 ( 1.493 -4.354 0.160) 4.606 12.462 ( 1.493 4.354 0.160) 4.606 12.709 ( 1.360 -10.078 0.114) 10.170 12.709 ( 1.360 10.078 0.114) 10.170 13.950 ( 0.842 -1.956 -0.343) 2.157 13.950 ( 0.842 1.956 -0.343) 2.157 14.237 ( -0.884 -2.376 0.553) 2.594 14.237 ( -0.884 2.376 0.553) 2.594 ======================= Grid point 63 (35/216) ======================= q-point: ( 0.40 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.708 ( -6.118 -11.217 4.653) 13.598 2.708 ( -6.118 11.217 4.653) 13.598 3.673 ( 5.288 -14.783 3.737) 16.138 3.673 ( 5.288 14.783 3.737) 16.138 4.188 ( 1.465 -15.595 -4.563) 16.315 4.188 ( 1.465 15.595 -4.563) 16.315 4.384 ( 5.074 -12.012 1.782) 13.162 4.384 ( 5.074 12.012 1.782) 13.162 5.037 ( -7.543 -18.911 -19.676) 28.314 5.037 ( -7.543 18.911 -19.676) 28.314 5.768 ( -1.121 -5.739 7.025) 9.140 5.768 ( -1.121 5.739 7.025) 9.140 6.091 ( -11.176 -13.964 9.337) 20.176 6.091 ( -11.176 13.964 9.337) 20.176 8.220 ( 4.523 -4.167 4.039) 7.358 8.220 ( 4.523 4.167 4.039) 7.358 9.747 ( -2.065 -11.510 -3.162) 12.114 9.747 ( -2.065 11.510 -3.162) 12.114 10.501 ( 7.159 -7.432 -0.670) 10.341 10.501 ( 7.159 7.432 -0.670) 10.341 12.157 ( -0.334 -6.719 -0.256) 6.732 12.157 ( -0.334 6.719 -0.256) 6.732 12.485 ( 0.809 -4.980 0.088) 5.046 12.485 ( 0.809 4.980 0.088) 5.046 12.730 ( 0.754 -10.038 -0.020) 10.066 12.730 ( 0.754 10.038 -0.020) 10.066 13.963 ( 0.557 -2.319 -0.255) 2.398 13.963 ( 0.557 2.319 -0.255) 2.398 14.224 ( -0.558 -2.293 0.392) 2.392 14.224 ( -0.558 2.293 0.392) 2.392 ======================= Grid point 65 (36/216) ======================= q-point: (-0.50 -0.50 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 108 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.652 ( 0.000 -9.012 -0.000) 9.012 2.652 ( 0.000 9.012 0.000) 9.012 3.746 ( 0.000 -11.809 -0.000) 11.809 3.746 ( 0.000 11.809 0.000) 11.809 4.171 ( 0.000 -14.542 0.000) 14.542 4.171 ( 0.000 14.542 0.000) 14.542 4.476 ( -0.000 -10.592 0.000) 10.592 4.476 ( 0.000 10.592 0.000) 10.592 4.905 ( 0.000 -23.691 0.000) 23.691 4.905 ( 0.000 23.691 0.000) 23.691 5.757 ( 0.000 -3.973 -0.000) 3.973 5.757 ( 0.000 3.973 -0.000) 3.973 6.002 ( -0.000 -3.775 0.000) 3.775 6.002 ( 0.000 3.775 -0.000) 3.775 8.274 ( 0.000 -1.353 0.000) 1.353 8.274 ( 0.000 1.353 0.000) 1.353 9.721 ( 0.000 -12.510 -0.000) 12.510 9.721 ( 0.000 12.510 0.000) 12.510 10.571 ( 0.000 -6.151 0.000) 6.151 10.571 ( 0.000 6.151 -0.000) 6.151 12.154 ( 0.000 -6.533 0.000) 6.533 12.154 ( 0.000 6.533 0.000) 6.533 12.493 ( 0.000 -5.202 -0.000) 5.202 12.493 ( 0.000 5.202 0.000) 5.202 12.737 ( 0.000 -10.025 0.000) 10.025 12.737 ( 0.000 10.025 0.000) 10.025 13.968 ( 0.000 -2.474 0.000) 2.474 13.968 ( 0.000 2.474 -0.000) 2.474 14.219 ( 0.000 -2.244 -0.000) 2.244 14.219 ( 0.000 2.244 0.000) 2.244 ======================= Grid point 121 (37/216) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.690 ( 13.189 0.000 35.454) 37.828 0.820 ( 0.694 0.000 41.599) 41.605 1.360 ( -12.853 0.000 69.587) 70.764 3.540 ( 1.724 0.000 -12.177) 12.299 3.762 ( 2.398 0.000 -8.177) 8.522 4.291 ( -5.817 0.000 -1.191) 5.938 4.419 ( 7.022 0.000 -8.399) 10.947 4.706 ( -2.168 0.000 8.695) 8.961 4.911 ( -8.750 0.000 9.203) 12.698 5.015 ( -2.772 0.000 3.393) 4.382 5.757 ( 4.082 0.000 -3.306) 5.253 6.268 ( 8.503 0.000 -10.490) 13.504 6.957 ( 4.423 0.000 -9.551) 10.526 7.183 ( 5.320 0.000 8.838) 10.316 7.846 ( 11.949 0.000 -20.348) 23.596 8.195 ( 1.723 0.000 -16.742) 16.831 9.251 ( -17.532 0.000 11.352) 20.887 9.616 ( -1.119 0.000 18.571) 18.605 9.870 ( -0.481 0.000 -0.679) 0.833 10.901 ( 1.955 0.000 -4.798) 5.181 11.726 ( 0.944 0.000 2.337) 2.521 12.043 ( -0.149 0.000 -2.350) 2.355 12.357 ( -0.455 0.000 1.788) 1.845 12.549 ( -1.016 0.000 0.176) 1.031 13.162 ( 0.559 0.000 1.260) 1.379 13.436 ( -5.003 0.000 -1.784) 5.312 13.748 ( -0.924 0.000 0.453) 1.029 13.911 ( -0.483 0.000 -1.009) 1.119 14.138 ( -0.509 0.000 2.026) 2.089 14.321 ( 1.184 0.000 -0.534) 1.299 ======================= Grid point 122 (38/216) ======================= q-point: ( 0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.148 ( 15.021 0.000 35.766) 38.793 1.226 ( 24.482 0.000 31.291) 39.730 1.740 ( 32.162 0.000 45.491) 55.712 3.521 ( -0.316 0.000 -13.911) 13.915 3.863 ( 5.996 0.000 -15.056) 16.206 4.149 ( -7.356 0.000 -5.185) 8.999 4.579 ( 10.990 0.000 -6.505) 12.771 4.651 ( -4.289 0.000 8.177) 9.233 4.718 ( -12.597 0.000 7.860) 14.848 4.937 ( -5.917 0.000 2.995) 6.632 5.928 ( 12.506 0.000 -0.797) 12.531 6.538 ( 17.727 0.000 -6.741) 18.965 7.056 ( 7.842 0.000 -6.254) 10.031 7.325 ( 1.408 0.000 -3.811) 4.063 8.029 ( 9.787 0.000 -11.965) 15.458 8.106 ( -5.244 0.000 -18.386) 19.119 9.142 ( 0.784 0.000 2.023) 2.170 9.556 ( -9.455 0.000 18.204) 20.513 9.958 ( 8.144 0.000 0.062) 8.144 10.748 ( -12.194 0.000 -0.902) 12.227 11.756 ( 1.214 0.000 2.983) 3.220 12.004 ( -2.969 0.000 -2.690) 4.006 12.353 ( -0.446 0.000 1.687) 1.745 12.527 ( -1.064 0.000 -0.583) 1.213 13.156 ( -1.629 0.000 1.818) 2.442 13.264 ( -8.372 0.000 2.449) 8.722 13.748 ( 0.244 0.000 -0.325) 0.407 13.904 ( 0.207 0.000 -1.410) 1.425 14.130 ( -1.115 0.000 1.772) 2.093 14.354 ( 2.128 0.000 0.125) 2.132 ======================= Grid point 123 (39/216) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 18.332 0.000 28.600) 33.971 1.826 ( 27.218 0.000 21.875) 34.919 2.591 ( 40.313 0.000 23.353) 46.589 3.427 ( -4.724 0.000 -16.858) 17.508 3.896 ( 1.414 0.000 -9.685) 9.788 4.005 ( -5.261 0.000 -3.495) 6.316 4.500 ( -10.583 0.000 4.379) 11.453 4.615 ( -1.711 0.000 4.435) 4.754 4.797 ( 12.161 0.000 -2.118) 12.344 4.828 ( -5.916 0.000 6.819) 9.027 6.186 ( 13.022 0.000 -0.024) 13.022 6.853 ( 15.345 0.000 -8.222) 17.409 7.213 ( 9.397 0.000 -3.220) 9.933 7.239 ( -7.074 0.000 1.382) 7.208 7.905 ( -9.112 0.000 -17.876) 20.064 8.122 ( 1.519 0.000 -0.192) 1.531 9.162 ( 1.084 0.000 -7.337) 7.417 9.394 ( -11.739 0.000 15.531) 19.469 10.135 ( 9.273 0.000 -0.355) 9.280 10.515 ( -10.577 0.000 -2.067) 10.777 11.786 ( 0.890 0.000 2.892) 3.026 11.920 ( -4.645 0.000 -2.526) 5.287 12.350 ( -0.378 0.000 1.444) 1.493 12.506 ( -0.866 0.000 -1.067) 1.375 13.113 ( -3.223 0.000 1.772) 3.678 13.134 ( -5.883 0.000 0.109) 5.884 13.749 ( -0.068 0.000 -0.000) 0.068 13.910 ( 0.846 0.000 -1.405) 1.640 14.107 ( -1.640 0.000 1.581) 2.278 14.399 ( 2.323 0.000 0.087) 2.325 ======================= Grid point 124 (40/216) ======================= q-point: ( 0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.023 ( 21.773 0.000 18.449) 28.539 2.369 ( 21.863 0.000 15.393) 26.738 3.269 ( -5.257 0.000 -14.114) 15.062 3.340 ( 27.617 0.000 9.505) 29.207 3.861 ( -2.114 0.000 0.880) 2.290 3.933 ( -1.820 0.000 -1.436) 2.318 4.371 ( -2.596 0.000 1.266) 2.888 4.569 ( -3.695 0.000 -3.798) 5.299 4.787 ( -1.183 0.000 14.739) 14.786 5.026 ( 11.066 0.000 0.314) 11.070 6.405 ( 9.193 0.000 -1.202) 9.271 6.932 ( -4.529 0.000 -17.440) 18.018 7.231 ( 5.950 0.000 8.238) 10.162 7.378 ( 6.629 0.000 0.092) 6.630 7.680 ( -7.261 0.000 -16.201) 17.754 8.093 ( -4.950 0.000 7.065) 8.626 9.140 ( -0.647 0.000 -7.684) 7.711 9.211 ( -10.775 0.000 12.700) 16.655 10.294 ( 7.191 0.000 -2.857) 7.738 10.339 ( -5.981 0.000 -5.342) 8.019 11.805 ( 0.210 0.000 2.344) 2.354 11.821 ( -4.470 0.000 -1.804) 4.820 12.348 ( -0.190 0.000 1.082) 1.098 12.489 ( -0.436 0.000 -0.999) 1.090 13.031 ( -4.443 0.000 -0.632) 4.488 13.050 ( -3.395 0.000 1.302) 3.636 13.747 ( -0.186 0.000 0.627) 0.654 13.925 ( 0.986 0.000 -1.167) 1.527 14.079 ( -1.533 0.000 1.518) 2.158 14.439 ( 1.792 0.000 -0.540) 1.872 ======================= Grid point 125 (41/216) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.504 ( 22.795 0.000 11.305) 25.444 2.722 ( 9.688 0.000 6.860) 11.871 3.206 ( 2.652 0.000 -1.285) 2.947 3.456 ( -13.594 0.000 6.121) 14.908 3.895 ( -2.084 0.000 -3.736) 4.278 4.019 ( 13.059 0.000 -1.722) 13.172 4.409 ( 4.633 0.000 5.235) 6.991 4.482 ( -3.246 0.000 -1.851) 3.737 4.838 ( 1.120 0.000 14.277) 14.321 5.204 ( 6.234 0.000 1.532) 6.419 6.526 ( 3.793 0.000 -2.845) 4.741 6.766 ( -5.261 0.000 -14.777) 15.686 7.327 ( 0.911 0.000 0.206) 0.934 7.368 ( -5.026 0.000 -11.924) 12.940 7.632 ( 3.793 0.000 -0.005) 3.793 7.997 ( -6.679 0.000 6.944) 9.635 9.072 ( -6.460 0.000 9.880) 11.805 9.116 ( 0.660 0.000 -2.529) 2.613 10.256 ( -0.685 0.000 -7.045) 7.079 10.388 ( 3.639 0.000 -6.060) 7.069 11.748 ( -2.371 0.000 -0.570) 2.438 11.808 ( -0.508 0.000 1.495) 1.579 12.349 ( 0.032 0.000 0.749) 0.749 12.485 ( 0.216 0.000 -0.434) 0.484 12.964 ( -2.154 0.000 -0.246) 2.168 12.997 ( -2.254 0.000 0.717) 2.365 13.746 ( -0.157 0.000 1.098) 1.109 13.939 ( 0.735 0.000 -0.892) 1.156 14.060 ( -0.826 0.000 1.810) 1.989 14.462 ( 0.726 0.000 -1.494) 1.661 ======================= Grid point 126 (42/216) ======================= q-point: (-0.50 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.787 ( -3.610 0.000 2.901) 4.631 2.958 ( 16.244 0.000 11.393) 19.841 3.118 ( -17.000 0.000 4.322) 17.541 3.350 ( 9.193 0.000 9.999) 13.582 3.826 ( -2.664 0.000 -7.535) 7.992 4.126 ( -1.540 0.000 -4.020) 4.305 4.444 ( -0.911 0.000 0.433) 1.008 4.489 ( -0.796 0.000 5.247) 5.307 4.899 ( 0.774 0.000 14.428) 14.449 5.259 ( -0.981 0.000 1.755) 2.011 6.542 ( -0.935 0.000 -3.792) 3.906 6.676 ( 0.529 0.000 -14.466) 14.475 7.235 ( -3.150 0.000 -18.199) 18.469 7.305 ( -0.366 0.000 -4.590) 4.604 7.704 ( 1.901 0.000 6.634) 6.901 7.854 ( -9.899 0.000 0.945) 9.944 9.030 ( -0.638 0.000 8.518) 8.542 9.178 ( 5.576 0.000 3.745) 6.716 10.264 ( 3.176 0.000 -5.985) 6.775 10.401 ( 0.012 0.000 -8.512) 8.512 11.732 ( 0.743 0.000 0.570) 0.937 11.795 ( -1.097 0.000 0.530) 1.218 12.353 ( 0.148 0.000 0.632) 0.650 12.496 ( 0.887 0.000 0.328) 0.946 12.951 ( 0.829 0.000 0.519) 0.978 12.971 ( -0.436 0.000 0.204) 0.481 13.747 ( -0.066 0.000 1.241) 1.243 13.948 ( 0.360 0.000 -0.629) 0.725 14.060 ( 0.158 0.000 2.390) 2.395 14.458 ( -0.539 0.000 -2.457) 2.515 ======================= Grid point 127 (43/216) ======================= q-point: (-0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.597 ( -17.195 0.000 5.490) 18.050 2.623 ( -28.011 0.000 12.575) 30.704 3.419 ( 20.711 0.000 1.054) 20.738 3.605 ( 13.694 0.000 12.565) 18.585 3.760 ( -1.914 0.000 -8.995) 9.196 3.902 ( -22.604 0.000 5.433) 23.248 4.402 ( -6.882 0.000 -2.521) 7.329 4.431 ( -0.677 0.000 0.651) 0.939 4.957 ( 0.542 0.000 15.637) 15.647 5.204 ( -4.338 0.000 2.544) 5.029 6.467 ( -5.759 0.000 -4.087) 7.062 6.675 ( 2.900 0.000 -15.767) 16.032 7.141 ( -0.617 0.000 -21.747) 21.756 7.334 ( 4.470 0.000 -5.440) 7.041 7.628 ( -11.105 0.000 -6.437) 12.836 7.756 ( 2.035 0.000 6.424) 6.738 9.090 ( 3.839 0.000 9.104) 9.880 9.335 ( 8.150 0.000 6.698) 10.549 10.335 ( 5.256 0.000 -2.901) 6.003 10.344 ( -3.087 0.000 -8.850) 9.373 11.770 ( -1.422 0.000 -0.297) 1.453 11.777 ( 3.449 0.000 0.895) 3.564 12.358 ( 0.082 0.000 0.803) 0.808 12.519 ( 1.241 0.000 0.959) 1.568 12.981 ( 1.390 0.000 -0.159) 1.399 12.998 ( 3.653 0.000 1.324) 3.886 13.751 ( 0.089 0.000 1.042) 1.046 13.950 ( 0.010 0.000 -0.358) 0.358 14.079 ( 0.861 0.000 2.962) 3.084 14.428 ( -1.573 0.000 -3.130) 3.503 ======================= Grid point 128 (44/216) ======================= q-point: (-0.30 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.082 ( -30.969 0.000 12.180) 33.278 2.173 ( -27.601 0.000 8.429) 28.859 3.276 ( -40.540 0.000 12.904) 42.544 3.681 ( -3.150 0.000 -10.102) 10.582 3.820 ( 17.519 0.000 2.663) 17.721 3.948 ( 16.986 0.000 11.934) 20.759 4.242 ( -7.384 0.000 -8.967) 11.616 4.426 ( -0.460 0.000 3.389) 3.420 5.010 ( 0.275 0.000 14.397) 14.400 5.131 ( -4.235 0.000 5.451) 6.902 6.290 ( -10.976 0.000 -4.359) 11.810 6.650 ( -1.642 0.000 -17.624) 17.700 7.071 ( -0.131 0.000 -22.445) 22.446 7.333 ( -5.943 0.000 3.942) 7.132 7.526 ( 7.128 0.000 -21.376) 22.533 7.843 ( 5.907 0.000 2.147) 6.285 9.220 ( 6.155 0.000 10.313) 12.010 9.506 ( 6.748 0.000 6.918) 9.664 10.234 ( -5.610 0.000 -6.785) 8.804 10.443 ( 5.920 0.000 0.660) 5.957 11.741 ( -1.379 0.000 -0.671) 1.534 11.862 ( 4.797 0.000 0.392) 4.813 12.361 ( -0.089 0.000 1.151) 1.154 12.545 ( 1.021 0.000 1.269) 1.628 13.021 ( 2.671 0.000 -0.319) 2.690 13.095 ( 5.472 0.000 2.272) 5.925 13.757 ( 0.246 0.000 0.555) 0.608 13.947 ( -0.285 0.000 -0.111) 0.306 14.107 ( 0.961 0.000 3.264) 3.403 14.382 ( -1.963 0.000 -3.274) 3.817 ======================= Grid point 129 (45/216) ======================= q-point: (-0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -32.939 0.000 10.357) 34.529 1.606 ( -32.979 0.000 14.301) 35.946 2.455 ( -47.690 0.000 29.941) 56.310 3.595 ( -1.806 0.000 -12.429) 12.559 4.072 ( -5.492 0.000 -10.875) 12.183 4.134 ( 12.863 0.000 -3.763) 13.402 4.308 ( 14.936 0.000 13.171) 19.914 4.425 ( -0.605 0.000 3.931) 3.978 5.046 ( -0.580 0.000 10.670) 10.685 5.068 ( -4.499 0.000 9.346) 10.372 6.037 ( -12.613 0.000 -4.928) 13.542 6.495 ( -8.061 0.000 -15.301) 17.294 6.998 ( -0.764 0.000 -19.287) 19.302 7.276 ( -0.037 0.000 -1.799) 1.799 7.627 ( 8.430 0.000 -23.320) 24.797 7.991 ( 9.106 0.000 -4.692) 10.244 9.376 ( 6.279 0.000 11.480) 13.085 9.619 ( 2.346 0.000 4.760) 5.306 10.093 ( -7.074 0.000 -3.070) 7.712 10.564 ( 5.951 0.000 4.252) 7.314 11.716 ( -0.868 0.000 -0.262) 0.907 11.955 ( 4.489 0.000 -0.543) 4.522 12.361 ( -0.246 0.000 1.500) 1.521 12.563 ( 0.295 0.000 1.217) 1.252 13.077 ( 3.007 0.000 -0.161) 3.011 13.218 ( 6.200 0.000 3.782) 7.262 13.763 ( 0.295 0.000 -0.113) 0.315 13.938 ( -0.543 0.000 -0.064) 0.546 14.132 ( 0.515 0.000 3.171) 3.213 14.338 ( -1.471 0.000 -2.755) 3.123 ======================= Grid point 130 (46/216) ======================= q-point: (-0.10 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.874 ( -31.794 0.000 13.674) 34.610 1.036 ( -29.080 0.000 27.524) 40.040 1.705 ( -39.124 0.000 55.537) 67.934 3.548 ( 0.746 0.000 -12.473) 12.495 3.912 ( -7.071 0.000 -15.724) 17.241 4.322 ( 7.427 0.000 -7.343) 10.444 4.379 ( -3.660 0.000 4.478) 5.783 4.610 ( 9.479 0.000 9.934) 13.731 5.008 ( -5.268 0.000 12.078) 13.177 5.045 ( -1.954 0.000 5.678) 6.005 5.812 ( -7.722 0.000 -4.829) 9.108 6.309 ( -5.345 0.000 -13.418) 14.443 6.943 ( 0.734 0.000 -14.300) 14.319 7.244 ( -4.908 0.000 -1.908) 5.265 7.714 ( 8.760 0.000 -25.443) 26.909 8.140 ( 7.779 0.000 -11.691) 14.042 9.522 ( 4.593 0.000 13.540) 14.297 9.573 ( -9.844 0.000 -0.816) 9.878 9.953 ( -6.520 0.000 0.315) 6.527 10.724 ( 9.602 0.000 7.097) 11.940 11.709 ( 0.133 0.000 0.999) 1.008 12.024 ( 2.672 0.000 -1.558) 3.093 12.360 ( -0.369 0.000 1.727) 1.766 12.563 ( -0.537 0.000 0.836) 0.993 13.131 ( 2.266 0.000 0.426) 2.306 13.361 ( 7.233 0.000 4.548) 8.544 13.766 ( -0.073 0.000 -0.719) 0.722 13.925 ( -0.700 0.000 -0.411) 0.812 14.143 ( -0.320 0.000 2.545) 2.565 14.314 ( -0.229 0.000 -1.681) 1.696 ======================= Grid point 131 (47/216) ======================= q-point: ( 0.00 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.926 ( -8.327 27.537 19.453) 34.728 1.145 ( 3.596 28.178 28.287) 40.089 1.885 ( -2.672 41.060 50.607) 65.224 3.656 ( 3.381 7.811 -15.584) 17.756 3.739 ( -1.902 -1.511 -8.831) 9.159 4.268 ( -3.274 -3.143 -1.042) 4.657 4.454 ( 5.525 1.540 -6.094) 8.369 4.564 ( -4.185 -9.967 5.976) 12.352 4.937 ( -5.182 -4.453 3.190) 7.541 5.142 ( 0.820 14.721 8.821) 17.181 5.597 ( 0.544 -12.583 -0.953) 12.631 6.427 ( 7.353 9.522 -15.713) 19.789 7.011 ( 4.661 5.456 -9.045) 11.546 7.169 ( 1.224 0.405 12.039) 12.107 7.877 ( 13.939 -1.258 -20.611) 24.914 8.073 ( -1.146 -6.681 -12.702) 14.398 9.277 ( -10.643 1.211 8.069) 13.411 9.608 ( -1.461 0.521 19.862) 19.923 9.966 ( -0.677 4.437 -5.976) 7.474 10.668 ( -0.526 -14.208 3.701) 14.692 11.762 ( 0.901 3.452 2.242) 4.214 12.068 ( -0.164 2.219 -2.248) 3.163 12.355 ( -0.332 -0.111 1.485) 1.526 12.535 ( -1.106 -1.449 0.205) 1.834 13.090 ( 0.269 -6.709 1.315) 6.842 13.290 ( -2.126 -7.450 3.233) 8.395 13.765 ( 0.175 1.648 -0.056) 1.658 13.972 ( -0.358 1.390 -4.096) 4.340 14.147 ( -0.857 0.966 2.079) 2.447 14.332 ( 0.920 0.972 -0.285) 1.369 ======================= Grid point 132 (48/216) ======================= q-point: ( 0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.118 ( 17.943 6.113 25.871) 32.073 1.376 ( 12.155 20.634 26.851) 35.979 2.274 ( 24.676 38.127 36.207) 58.082 3.592 ( -1.777 4.992 -11.420) 12.589 3.751 ( 0.939 -6.273 -14.461) 15.791 4.170 ( -5.429 0.567 -3.836) 6.671 4.521 ( -2.114 -8.293 6.530) 10.765 4.569 ( 7.560 -2.070 -7.917) 11.141 4.814 ( -7.895 1.035 3.179) 8.574 5.085 ( -6.249 17.676 11.553) 22.022 5.731 ( 11.627 -15.760 0.047) 19.585 6.615 ( 13.273 0.339 -15.782) 20.624 7.099 ( 5.968 4.300 -4.310) 8.525 7.264 ( 2.183 -0.655 8.704) 8.998 7.975 ( -2.542 -11.459 -15.165) 19.177 8.101 ( 11.411 6.167 -13.705) 18.870 9.133 ( -5.450 -0.535 3.660) 6.587 9.553 ( -8.757 0.511 18.031) 20.052 10.029 ( 6.972 4.082 -3.049) 8.635 10.598 ( -6.609 -11.319 0.391) 13.113 11.786 ( 0.624 2.845 2.763) 4.015 12.035 ( -2.364 3.055 -2.173) 4.432 12.353 ( -0.326 -0.007 1.436) 1.472 12.512 ( -1.096 -1.508 -0.569) 1.949 13.086 ( -1.151 -6.486 1.592) 6.777 13.222 ( -4.859 -3.608 1.437) 6.220 13.769 ( 0.093 1.903 0.012) 1.906 13.941 ( -0.984 1.840 -3.014) 3.665 14.135 ( -1.070 0.665 1.835) 2.225 14.358 ( 1.608 0.314 0.199) 1.650 ======================= Grid point 133 (49/216) ======================= q-point: ( 0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.591 ( 20.387 0.905 23.247) 30.933 1.809 ( 25.094 7.578 15.478) 30.442 2.889 ( 26.148 22.215 19.467) 39.449 3.506 ( -3.504 7.401 -12.654) 15.072 3.710 ( -0.412 -11.723 -6.371) 13.349 4.069 ( -2.928 4.949 -3.337) 6.648 4.444 ( -7.963 -4.824 4.063) 10.158 4.617 ( -2.923 -2.826 -2.367) 4.705 4.798 ( 8.705 0.196 -0.782) 8.742 5.043 ( -1.920 19.624 13.282) 23.774 5.984 ( 13.184 -17.081 0.453) 21.582 6.764 ( 6.376 -11.821 -18.407) 22.786 7.179 ( -1.295 -3.273 8.118) 8.848 7.289 ( 2.231 4.287 -0.973) 4.930 7.893 ( -0.780 0.746 -12.247) 12.294 8.212 ( 1.518 7.371 -2.315) 7.874 9.074 ( -1.000 -6.350 -4.252) 7.708 9.419 ( -9.137 2.406 13.733) 16.670 10.162 ( 6.624 0.915 -2.437) 7.117 10.460 ( -6.016 -4.085 -2.124) 7.576 11.796 ( -0.545 1.210 2.139) 2.517 11.974 ( -3.060 5.015 -1.379) 6.035 12.352 ( -0.202 0.182 1.246) 1.276 12.490 ( -0.891 -1.491 -1.000) 2.005 13.055 ( -2.423 -5.490 1.503) 6.187 13.128 ( -4.742 -0.866 -0.275) 4.828 13.767 ( -0.269 1.727 0.207) 1.760 13.927 ( 0.292 1.202 -2.059) 2.402 14.114 ( -1.484 0.800 1.693) 2.389 14.393 ( 1.836 -0.596 0.126) 1.934 ======================= Grid point 134 (50/216) ======================= q-point: ( 0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 20.844 1.839 15.983) 26.330 2.350 ( 24.392 0.661 9.683) 26.252 3.185 ( 0.229 -2.437 -10.745) 11.021 3.515 ( 7.347 6.810 3.035) 10.468 3.698 ( -1.510 -8.649 3.482) 9.445 4.071 ( 3.528 13.148 -0.185) 13.615 4.308 ( -4.535 -4.436 4.830) 7.973 4.558 ( -1.585 -0.793 -2.369) 2.959 4.992 ( 8.796 0.375 -0.653) 8.828 5.069 ( 0.785 18.450 13.640) 22.958 6.212 ( 9.320 -17.413 -2.662) 19.929 6.777 ( 1.924 -15.845 -15.521) 22.264 7.074 ( -8.739 -13.197 4.537) 16.465 7.381 ( 5.983 2.229 -3.937) 7.501 7.858 ( -1.847 12.857 -4.465) 13.735 8.147 ( -8.363 3.158 7.686) 11.789 9.058 ( 1.071 -3.731 -8.581) 9.419 9.303 ( -5.650 6.607 10.511) 13.640 10.240 ( 2.446 -4.135 -7.208) 8.662 10.392 ( 0.149 3.802 -1.944) 4.273 11.773 ( -2.052 -0.128 0.777) 2.198 11.920 ( -2.083 6.743 0.032) 7.058 12.354 ( 0.068 0.529 0.905) 1.051 12.473 ( -0.525 -1.523 -0.812) 1.804 13.006 ( -2.859 -4.324 1.220) 5.326 13.042 ( -3.595 0.860 -0.873) 3.798 13.761 ( -0.403 1.390 0.558) 1.551 13.934 ( 0.832 0.765 -1.512) 1.888 14.090 ( -1.414 1.069 1.689) 2.449 14.425 ( 1.462 -1.353 -0.419) 2.036 ======================= Grid point 135 (51/216) ======================= q-point: ( 0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( 20.880 -0.570 10.557) 23.404 2.747 ( 12.537 2.975 4.304) 13.585 3.114 ( -1.256 -5.363 -5.997) 8.143 3.584 ( -2.807 -0.269 2.368) 3.682 3.639 ( -4.671 -6.566 8.251) 11.533 4.126 ( 3.078 1.227 -4.564) 5.640 4.298 ( -1.686 -3.789 -0.360) 4.163 4.607 ( 6.944 8.387 3.256) 11.366 5.044 ( -2.117 15.401 9.134) 18.031 5.193 ( 5.626 0.493 5.554) 7.921 6.293 ( 1.545 -18.474 -11.032) 21.573 6.787 ( -1.048 -3.433 0.478) 3.621 6.962 ( 1.764 -23.480 -10.293) 25.698 7.463 ( 2.898 -1.289 -3.776) 4.931 7.744 ( -8.821 11.318 -2.390) 14.547 7.976 ( -10.796 -2.533 12.126) 16.432 9.053 ( 0.854 0.318 -7.620) 7.674 9.287 ( 0.887 14.067 9.650) 17.082 10.251 ( 2.315 -0.996 -9.698) 10.020 10.412 ( 1.354 2.637 -3.557) 4.630 11.736 ( -1.573 0.320 0.581) 1.707 11.889 ( -1.311 6.516 0.379) 6.657 12.359 ( 0.274 0.995 0.612) 1.200 12.467 ( 0.091 -1.685 -0.151) 1.694 12.958 ( -2.123 -2.913 0.669) 3.666 12.990 ( -1.562 1.358 -0.460) 2.120 13.756 ( -0.314 1.026 0.857) 1.373 13.947 ( 0.749 0.659 -1.113) 1.495 14.073 ( -0.801 1.244 1.950) 2.448 14.444 ( 0.601 -1.745 -1.239) 2.223 ======================= Grid point 136 (52/216) ======================= q-point: (-0.50 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.805 ( -1.196 1.843 1.893) 2.900 2.915 ( 6.755 -3.509 12.393) 14.544 3.086 ( 1.190 -0.054 0.057) 1.192 3.504 ( -1.530 7.503 4.470) 8.866 3.625 ( 0.411 -10.872 6.098) 12.472 4.172 ( -0.136 -11.275 0.667) 11.296 4.204 ( -4.490 0.773 -9.285) 10.343 4.724 ( 2.339 9.486 -1.305) 9.857 5.008 ( -4.731 10.017 13.267) 17.284 5.270 ( 0.664 2.276 6.035) 6.484 6.267 ( 0.654 -19.912 -13.815) 24.244 6.714 ( -4.221 -4.462 -0.832) 6.198 7.065 ( 7.847 -10.831 -11.790) 17.830 7.436 ( -4.133 -1.770 -7.450) 8.702 7.553 ( -8.433 -5.473 0.564) 10.069 7.860 ( -3.209 3.197 8.689) 9.799 9.061 ( 1.985 1.868 -3.302) 4.281 9.361 ( 2.899 16.771 9.781) 19.630 10.285 ( 3.822 1.230 -8.832) 9.702 10.406 ( -0.467 1.193 -5.467) 5.615 11.725 ( 0.261 0.513 1.231) 1.358 11.868 ( -0.798 6.159 -0.305) 6.217 12.366 ( 0.178 1.260 0.540) 1.382 12.477 ( 0.860 -1.782 0.646) 2.081 12.935 ( -0.293 -2.633 0.361) 2.673 12.980 ( 0.669 1.671 0.072) 1.801 13.754 ( -0.129 0.761 0.910) 1.193 13.956 ( 0.440 0.712 -0.800) 1.158 14.072 ( 0.063 1.203 2.452) 2.732 14.440 ( -0.453 -1.700 -2.065) 2.713 ======================= Grid point 137 (53/216) ======================= q-point: (-0.40 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.595 ( -20.036 0.632 7.867) 21.534 2.716 ( -20.339 7.964 8.186) 23.327 3.352 ( 14.259 -7.384 0.964) 16.087 3.574 ( 4.950 -4.523 -1.424) 6.855 3.699 ( 4.793 1.228 15.730) 16.490 3.991 ( -11.358 -0.999 -4.782) 12.364 4.180 ( -1.261 -2.136 -1.565) 2.933 4.674 ( -5.155 9.082 -7.952) 13.126 4.962 ( -3.548 0.921 14.829) 15.276 5.266 ( -3.150 6.080 7.438) 10.110 6.234 ( -1.306 -19.724 -11.119) 22.680 6.632 ( -2.847 -5.715 -7.148) 9.584 7.123 ( 1.761 -6.782 -11.267) 13.268 7.316 ( -3.191 1.203 -11.959) 12.436 7.468 ( -1.003 -11.059 -0.796) 11.132 7.886 ( 3.105 9.063 3.437) 10.177 9.116 ( 3.882 1.847 1.365) 4.511 9.443 ( 2.499 10.934 10.118) 15.105 10.310 ( -0.272 -1.560 -9.650) 9.779 10.396 ( 2.360 4.027 -1.875) 5.030 11.744 ( 0.783 0.048 1.219) 1.450 11.865 ( 0.997 6.130 -0.846) 6.268 12.369 ( -0.116 1.041 0.726) 1.274 12.502 ( 1.316 -1.625 1.252) 2.437 12.947 ( 1.319 -3.080 0.060) 3.351 13.017 ( 2.968 1.320 0.758) 3.335 13.756 ( 0.075 0.605 0.653) 0.893 13.959 ( 0.131 0.810 -0.571) 0.999 14.089 ( 0.734 0.997 2.989) 3.235 14.415 ( -1.301 -1.236 -2.626) 3.181 ======================= Grid point 138 (54/216) ======================= q-point: (-0.30 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.134 ( -28.553 2.195 9.477) 30.165 2.276 ( -26.542 12.799 7.794) 30.480 3.340 ( -27.158 3.902 14.402) 30.987 3.540 ( 1.847 -7.203 -7.057) 10.252 3.888 ( 8.819 2.626 7.062) 11.600 3.990 ( 11.781 -0.107 -0.418) 11.789 4.180 ( 3.228 1.566 2.793) 4.546 4.530 ( -5.525 7.485 -8.656) 12.707 4.962 ( -0.865 -3.629 12.086) 12.649 5.182 ( -7.823 2.578 7.968) 11.460 6.102 ( -9.805 -16.117 -5.286) 19.592 6.601 ( 3.166 -4.648 -14.189) 15.263 7.071 ( -2.533 0.641 -16.449) 16.655 7.282 ( 0.850 -9.149 -1.953) 9.393 7.469 ( 3.418 -2.668 -12.860) 13.572 7.973 ( 4.957 11.177 -1.604) 12.332 9.214 ( 4.868 -0.792 6.328) 8.022 9.519 ( 2.052 2.815 9.208) 9.845 10.237 ( -3.566 -0.088 -7.222) 8.055 10.466 ( 3.932 2.107 1.086) 4.591 11.749 ( -0.365 1.072 0.110) 1.138 11.910 ( 3.650 4.636 -0.504) 5.922 12.366 ( -0.349 0.554 1.045) 1.233 12.531 ( 1.099 -1.406 1.492) 2.326 12.983 ( 2.244 -3.744 -0.082) 4.366 13.094 ( 4.394 -0.180 1.550) 4.663 13.760 ( 0.203 0.482 0.163) 0.548 13.958 ( -0.003 0.951 -0.491) 1.071 14.115 ( 0.901 0.823 3.301) 3.519 14.378 ( -1.570 -0.448 -2.698) 3.153 ======================= Grid point 139 (55/216) ======================= q-point: (-0.20 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.584 ( -29.420 6.871 11.296) 32.254 1.761 ( -28.147 18.513 9.165) 34.914 2.719 ( -38.670 23.189 27.588) 52.860 3.545 ( 1.933 -3.868 -10.329) 11.198 4.038 ( -1.759 -2.783 -4.106) 5.263 4.123 ( 10.285 -0.915 -3.258) 10.827 4.346 ( 3.391 -0.008 9.917) 10.481 4.503 ( 8.436 10.834 -4.002) 14.302 4.984 ( -0.609 -5.556 9.256) 10.812 5.034 ( -8.214 -5.043 8.290) 12.713 5.870 ( -11.273 -12.178 -2.893) 16.845 6.601 ( -1.041 7.058 -15.060) 16.664 6.981 ( -0.110 -0.073 -16.350) 16.351 7.273 ( -2.455 -5.760 2.883) 6.893 7.544 ( 9.502 -5.549 -22.904) 25.410 8.053 ( 4.233 7.464 -6.165) 10.566 9.338 ( 5.142 -4.547 10.077) 12.193 9.556 ( -1.413 -1.633 8.438) 8.710 10.147 ( -3.880 2.654 -4.149) 6.270 10.544 ( 3.268 -1.788 3.518) 5.124 11.740 ( -0.311 2.384 -0.032) 2.405 11.987 ( 4.010 3.163 -0.710) 5.157 12.362 ( -0.435 0.105 1.336) 1.409 12.550 ( 0.327 -1.301 1.355) 1.907 13.029 ( 2.341 -4.768 0.078) 5.312 13.188 ( 4.391 -2.606 2.612) 5.735 13.764 ( 0.160 0.408 -0.309) 0.536 13.958 ( 0.315 1.289 -0.865) 1.584 14.140 ( 0.543 0.798 3.227) 3.368 14.344 ( -1.106 0.439 -2.179) 2.483 ======================= Grid point 140 (56/216) ======================= q-point: (-0.10 0.10 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.155 ( -15.994 22.997 18.264) 33.440 1.261 ( -25.027 24.953 11.819) 37.265 2.110 ( -31.732 34.227 44.546) 64.519 3.577 ( 4.947 2.393 -11.143) 12.425 3.908 ( -7.437 0.688 -12.721) 14.751 4.279 ( 4.303 -3.224 -3.227) 6.271 4.381 ( 1.303 -1.905 5.769) 6.214 4.626 ( -0.683 0.799 1.172) 1.574 4.986 ( -0.840 -5.699 5.787) 8.165 5.015 ( 4.467 0.489 8.572) 9.678 5.681 ( -7.299 -8.797 -0.593) 11.447 6.473 ( -5.016 12.273 -15.713) 20.559 6.975 ( 2.996 2.902 -13.410) 14.044 7.203 ( -5.458 -3.753 5.319) 8.494 7.688 ( 12.188 -4.186 -23.954) 27.200 8.095 ( 2.326 -0.786 -10.164) 10.456 9.424 ( -3.186 -8.088 8.289) 12.012 9.538 ( -0.275 2.235 14.137) 14.315 10.054 ( -4.697 3.860 -4.158) 7.365 10.618 ( 3.011 -7.679 5.452) 9.887 11.743 ( 0.454 3.235 1.002) 3.417 12.050 ( 2.521 2.384 -1.502) 3.781 12.358 ( -0.404 -0.127 1.490) 1.549 12.550 ( -0.577 -1.336 0.895) 1.708 13.069 ( 1.566 -5.950 0.603) 6.182 13.270 ( 2.668 -6.052 3.691) 7.574 13.764 ( 0.008 0.741 -0.350) 0.820 13.968 ( 1.131 1.562 -2.314) 3.013 14.152 ( -0.242 0.907 2.670) 2.831 14.326 ( -0.111 1.030 -1.225) 1.605 ======================= Grid point 141 (57/216) ======================= q-point: ( 0.00 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.614 ( -9.547 37.971 1.232) 39.172 1.764 ( 0.936 32.338 16.778) 36.444 2.737 ( 1.411 41.676 31.503) 52.262 3.728 ( -1.216 2.716 -7.377) 7.954 3.817 ( -1.226 6.458 -10.838) 12.675 4.217 ( -1.485 -1.701 -0.827) 2.405 4.339 ( -0.381 -9.211 7.747) 12.042 4.469 ( 0.184 -2.009 -7.550) 7.815 4.764 ( -0.906 -12.779 5.510) 13.946 5.236 ( 8.715 -8.368 -3.734) 12.646 5.616 ( -5.200 17.980 13.205) 22.907 6.490 ( -1.483 -3.479 -19.704) 20.063 7.166 ( 5.880 8.861 -3.890) 11.323 7.230 ( 3.536 4.913 13.859) 15.124 7.608 ( 7.919 -18.923 -15.695) 25.829 8.165 ( 3.121 10.414 -15.024) 18.545 9.218 ( -5.872 -6.781 5.640) 10.596 9.683 ( -2.749 6.379 16.404) 17.814 9.993 ( 0.327 -1.192 -5.430) 5.569 10.426 ( -2.482 -10.918 2.022) 11.377 11.852 ( 0.619 5.387 2.134) 5.827 12.135 ( 0.265 4.710 -1.229) 4.875 12.352 ( -0.182 -0.199 0.896) 0.936 12.493 ( -1.198 -2.703 0.368) 2.979 12.922 ( -0.007 -9.778 1.242) 9.857 13.156 ( -0.580 -6.920 0.610) 6.971 13.802 ( 0.716 1.858 -0.970) 2.215 13.968 ( -0.119 -1.096 -3.081) 3.273 14.174 ( -0.878 1.720 2.422) 3.098 14.351 ( 0.412 0.683 0.221) 0.828 ======================= Grid point 142 (58/216) ======================= q-point: ( 0.10 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.543 ( 2.247 32.106 5.770) 32.698 1.864 ( 5.842 26.815 16.446) 31.994 3.011 ( 14.075 32.384 20.304) 40.732 3.605 ( -5.246 1.191 -5.998) 8.057 3.799 ( -0.302 7.813 -7.733) 10.997 4.177 ( -1.960 0.401 -1.509) 2.506 4.357 ( 0.969 -6.826 5.030) 8.534 4.492 ( 2.918 -5.576 -7.397) 9.712 4.762 ( -1.329 -5.538 4.581) 7.309 5.404 ( 9.475 -16.031 -1.243) 18.663 5.529 ( -6.209 24.740 14.922) 29.552 6.454 ( 2.462 -13.963 -21.400) 25.671 7.193 ( -3.561 1.657 3.090) 4.998 7.328 ( 1.482 3.401 8.694) 9.453 7.737 ( 10.934 -7.871 -9.172) 16.298 8.269 ( 10.015 9.768 -13.249) 19.267 9.080 ( -8.220 -4.944 2.086) 9.816 9.612 ( -7.818 5.325 14.277) 17.127 10.052 ( 5.134 -2.020 -4.272) 6.977 10.391 ( -0.977 -8.877 -0.033) 8.931 11.860 ( -0.638 4.448 2.294) 5.045 12.125 ( -0.854 6.011 -0.758) 6.118 12.352 ( -0.096 -0.111 0.900) 0.912 12.471 ( -0.947 -2.487 -0.455) 2.700 12.921 ( -0.514 -9.718 1.303) 9.818 13.134 ( -1.679 -5.353 -0.206) 5.614 13.810 ( 0.265 1.996 -0.495) 2.073 13.952 ( -0.380 -0.449 -3.106) 3.161 14.160 ( -1.231 1.818 2.146) 3.070 14.362 ( 0.617 0.032 0.484) 0.785 ======================= Grid point 143 (59/216) ======================= q-point: ( 0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.737 ( 14.500 16.171 7.624) 23.019 2.109 ( 14.809 19.732 10.651) 26.872 3.216 ( 2.354 7.002 -3.507) 8.177 3.524 ( -2.903 0.722 -2.940) 4.194 3.799 ( 0.627 15.890 6.065) 17.020 4.169 ( 2.904 2.350 0.251) 3.744 4.382 ( -0.933 3.170 2.649) 4.236 4.506 ( 0.643 -8.222 -3.999) 9.166 4.775 ( 3.750 -2.669 2.008) 5.021 5.486 ( -2.108 21.728 16.504) 27.367 5.613 ( 10.606 -17.553 -0.605) 20.518 6.416 ( 0.065 -21.500 -21.952) 30.727 7.029 ( -13.564 -11.474 8.276) 19.599 7.386 ( 4.097 4.795 -2.450) 6.766 7.948 ( 9.431 3.271 2.810) 10.370 8.347 ( -3.120 4.275 -1.100) 5.406 8.993 ( 2.498 -0.049 -9.837) 10.149 9.504 ( -6.431 6.432 11.935) 15.005 10.111 ( 2.551 -5.863 -6.781) 9.320 10.408 ( 2.726 -1.144 -0.106) 2.958 11.841 ( -1.820 3.385 1.670) 4.190 12.101 ( -1.393 7.574 0.018) 7.701 12.355 ( 0.132 0.011 0.771) 0.782 12.454 ( -0.692 -1.945 -0.804) 2.215 12.909 ( -1.110 -8.836 1.212) 8.988 13.094 ( -2.096 -2.802 -1.024) 3.646 13.808 ( -0.340 2.153 -0.106) 2.182 13.942 ( 0.338 0.171 -2.735) 2.761 14.140 ( -1.355 1.847 2.059) 3.080 14.377 ( 0.710 -0.986 0.456) 1.297 ======================= Grid point 144 (60/216) ======================= q-point: ( 0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.095 ( 18.941 4.408 5.772) 20.286 2.479 ( 19.828 12.274 5.498) 23.959 3.162 ( -3.802 -0.522 -10.110) 10.814 3.444 ( -3.501 -3.391 -5.886) 7.642 3.784 ( -3.867 8.815 10.344) 14.129 4.206 ( -4.056 -5.656 2.601) 7.430 4.346 ( -1.510 8.042 -3.241) 8.801 4.586 ( 8.528 7.106 4.098) 11.833 4.929 ( 10.422 -4.102 1.858) 11.353 5.492 ( -2.845 20.861 14.979) 25.839 5.806 ( 8.906 -21.612 -4.088) 23.730 6.356 ( 1.480 -25.520 -18.227) 31.396 6.776 ( -13.727 -15.204 9.494) 22.577 7.455 ( 3.067 3.656 -4.561) 6.601 8.057 ( -2.175 2.601 12.708) 13.153 8.153 ( -13.362 0.861 2.895) 13.699 9.068 ( 5.860 4.938 -16.805) 18.470 9.479 ( 1.889 11.458 9.829) 15.215 10.142 ( 3.750 -5.684 -9.776) 11.914 10.467 ( 2.546 3.277 -0.476) 4.177 11.805 ( -2.023 3.309 1.208) 4.062 12.072 ( -1.617 8.415 0.261) 8.573 12.364 ( 0.619 0.187 0.442) 0.783 12.439 ( -0.611 -1.487 -0.380) 1.652 12.887 ( -1.363 -7.357 1.041) 7.554 13.051 ( -1.832 -0.511 -1.350) 2.332 13.798 ( -0.611 2.187 0.114) 2.274 13.948 ( 0.921 0.438 -2.253) 2.473 14.121 ( -1.229 2.008 2.081) 3.142 14.391 ( 0.578 -2.011 0.149) 2.097 ======================= Grid point 145 (61/216) ======================= q-point: ( 0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.479 ( 18.473 -1.624 3.760) 18.921 2.867 ( 16.442 9.769 3.143) 19.382 3.048 ( -3.794 -0.882 -7.489) 8.441 3.360 ( -3.808 -6.797 -3.098) 8.385 3.769 ( -0.699 4.677 12.765) 13.613 4.072 ( -9.007 -3.116 2.778) 9.928 4.288 ( -2.236 0.635 -8.729) 9.034 4.744 ( 5.284 2.391 -3.160) 6.605 5.155 ( 10.213 2.939 5.916) 12.163 5.443 ( -6.613 17.935 14.490) 23.986 5.881 ( 1.271 -21.984 -13.994) 26.091 6.433 ( 10.176 -28.268 -11.950) 32.333 6.604 ( -5.378 -13.715 14.462) 20.644 7.399 ( -10.486 -6.968 0.624) 12.605 7.895 ( -8.583 1.792 4.307) 9.769 8.017 ( -6.511 9.987 5.211) 13.011 9.090 ( 2.010 3.612 -11.128) 11.871 9.612 ( 7.212 17.293 5.590) 19.552 10.203 ( 5.401 -3.717 -10.932) 12.747 10.489 ( 0.128 4.685 -1.710) 4.989 11.776 ( -1.237 3.792 1.362) 4.215 12.042 ( -1.437 8.632 -0.247) 8.754 12.382 ( 1.107 0.729 0.254) 1.349 12.428 ( -0.462 -1.592 0.446) 1.716 12.866 ( -1.056 -5.981 0.818) 6.128 13.020 ( -0.846 0.872 -1.192) 1.702 13.787 ( -0.508 2.079 0.210) 2.150 13.961 ( 0.940 0.629 -1.793) 2.119 14.107 ( -0.775 2.131 2.232) 3.182 14.398 ( 0.181 -2.667 -0.352) 2.696 ======================= Grid point 146 (62/216) ======================= q-point: (-0.50 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.814 ( 12.820 -5.898 3.661) 14.579 2.875 ( -8.238 2.585 0.464) 8.646 3.131 ( 0.673 3.584 0.480) 3.678 3.344 ( 7.696 -3.928 1.109) 8.711 3.796 ( -3.389 12.445 13.014) 18.323 3.916 ( -4.907 -11.252 0.714) 12.296 4.243 ( 1.747 0.995 -11.526) 11.700 4.773 ( 0.718 -4.174 -10.849) 11.647 5.235 ( -7.826 10.811 8.277) 15.705 5.400 ( 0.529 10.541 14.702) 18.098 5.829 ( -0.455 -23.388 -16.434) 28.589 6.488 ( -0.116 -15.700 0.377) 15.705 6.783 ( 15.133 -19.021 2.601) 24.445 7.105 ( -16.799 -18.587 8.500) 26.456 7.724 ( -9.999 11.610 -9.043) 17.792 7.980 ( 1.683 8.105 5.360) 9.862 9.112 ( 3.134 3.814 -6.549) 8.202 9.729 ( 2.209 18.370 5.762) 19.379 10.264 ( 3.349 -3.266 -10.572) 11.561 10.478 ( 0.070 5.555 -2.311) 6.017 11.767 ( -0.187 3.791 1.752) 4.181 12.018 ( -0.714 8.689 -1.117) 8.789 12.400 ( 0.253 2.103 0.232) 2.130 12.431 ( 0.785 -2.768 1.360) 3.183 12.855 ( -0.236 -5.318 0.590) 5.356 13.014 ( 0.588 1.118 -0.802) 1.496 13.780 ( -0.221 1.908 0.102) 1.924 13.972 ( 0.621 0.764 -1.430) 1.737 14.105 ( -0.136 2.046 2.560) 3.280 14.395 ( -0.332 -2.721 -0.873) 2.877 ======================= Grid point 147 (63/216) ======================= q-point: (-0.40 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -19.713 -1.518 5.473) 20.515 2.917 ( -9.021 11.652 4.975) 15.553 3.133 ( 5.865 -12.363 -1.944) 13.821 3.564 ( 8.464 4.089 6.640) 11.508 3.741 ( 0.061 1.672 6.513) 6.725 3.901 ( 1.204 -1.421 -1.295) 2.269 4.291 ( 5.147 6.982 -6.170) 10.645 4.737 ( -0.264 -2.409 -14.637) 14.836 5.034 ( -13.385 6.659 13.253) 19.978 5.387 ( -8.187 2.902 9.145) 12.613 5.808 ( 2.779 -19.654 -12.232) 23.316 6.467 ( -2.706 -9.719 1.398) 10.185 6.866 ( -2.527 -17.000 3.257) 17.493 7.109 ( 10.838 -18.655 0.294) 21.577 7.501 ( -7.895 9.590 -13.847) 18.602 8.061 ( 4.847 7.847 2.827) 9.646 9.170 ( 4.077 4.300 -4.550) 7.471 9.725 ( -4.322 16.084 8.473) 18.685 10.259 ( -0.330 -3.871 -9.618) 10.373 10.493 ( 1.506 5.280 -0.862) 5.558 11.776 ( 0.458 3.272 1.728) 3.729 12.011 ( 0.610 8.538 -1.706) 8.728 12.394 ( -0.742 1.281 0.627) 1.607 12.462 ( 1.621 -2.087 1.722) 3.154 12.860 ( 0.627 -5.581 0.444) 5.634 13.037 ( 1.859 0.222 -0.386) 1.912 13.779 ( 0.061 1.733 -0.280) 1.756 13.976 ( 0.230 0.743 -1.248) 1.470 14.117 ( 0.458 1.783 3.008) 3.527 14.381 ( -0.692 -2.130 -1.211) 2.546 ======================= Grid point 148 (64/216) ======================= q-point: (-0.30 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.180 ( -22.878 3.433 5.813) 23.853 2.635 ( -19.345 21.633 5.836) 29.602 3.234 ( 3.372 -10.196 -0.748) 10.765 3.624 ( -4.505 10.455 11.269) 16.019 3.837 ( 5.056 -5.646 2.704) 8.046 3.961 ( 6.172 0.152 -4.706) 7.763 4.406 ( 5.818 17.009 5.162) 18.703 4.666 ( -0.916 5.055 -15.896) 16.705 4.877 ( -5.466 -4.900 11.481) 13.628 5.151 ( -16.047 -6.183 3.393) 17.529 5.792 ( -3.775 -12.368 -2.483) 13.167 6.490 ( 7.647 -6.135 -3.789) 10.511 6.915 ( 4.597 -17.642 2.080) 18.349 7.160 ( -4.382 -2.571 -12.470) 13.465 7.418 ( 3.374 -0.941 -11.271) 11.802 8.177 ( 5.994 6.886 0.203) 9.131 9.223 ( 1.971 3.436 -2.581) 4.728 9.649 ( -5.268 9.836 10.810) 15.536 10.215 ( -1.421 -2.402 -7.266) 7.784 10.510 ( -0.100 1.953 1.718) 2.603 11.791 ( 0.616 3.348 1.072) 3.569 12.033 ( 2.074 7.550 -1.542) 7.980 12.379 ( -0.939 0.616 0.883) 1.429 12.496 ( 1.167 -1.909 1.814) 2.881 12.879 ( 1.006 -6.612 0.470) 6.704 13.079 ( 2.360 -1.697 0.022) 2.907 13.780 ( 0.261 1.587 -0.828) 1.809 13.974 ( 0.037 0.510 -1.301) 1.398 14.139 ( 0.739 1.521 3.332) 3.737 14.363 ( -0.683 -1.069 -1.203) 1.748 ======================= Grid point 149 (65/216) ======================= q-point: (-0.20 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.815 ( -14.839 16.559 8.913) 23.955 2.249 ( -20.806 28.458 3.926) 35.470 3.166 ( -15.164 13.826 14.561) 25.162 3.556 ( 0.869 11.236 0.057) 11.269 3.938 ( 3.581 -7.677 1.381) 8.583 4.090 ( 7.514 -2.834 -1.901) 8.252 4.389 ( -6.160 6.271 3.066) 9.310 4.767 ( 5.091 7.878 -12.832) 15.894 4.827 ( -3.796 -11.880 6.336) 13.989 4.876 ( -4.841 -2.150 5.017) 7.296 5.686 ( -5.518 -5.191 4.438) 8.780 6.682 ( 9.509 0.073 -9.288) 13.293 6.987 ( -0.149 -16.302 -5.954) 17.356 7.029 ( 0.735 0.638 -6.292) 6.366 7.457 ( 3.700 -3.816 -13.068) 14.108 8.255 ( 1.817 9.424 -5.518) 11.071 9.238 ( 0.324 -2.667 2.925) 3.972 9.613 ( -1.731 6.044 11.060) 12.722 10.158 ( -2.896 -1.272 -4.787) 5.738 10.499 ( -1.770 -2.894 3.671) 4.999 11.807 ( 0.830 4.331 0.684) 4.462 12.077 ( 2.599 5.914 -1.146) 6.561 12.365 ( -0.796 0.124 1.011) 1.292 12.514 ( 0.166 -2.115 1.582) 2.646 12.899 ( 0.878 -7.998 0.661) 8.073 13.122 ( 1.896 -4.197 0.467) 4.629 13.784 ( 0.436 1.564 -1.248) 2.048 13.972 ( 0.219 0.040 -1.698) 1.713 14.162 ( 0.547 1.403 3.312) 3.638 14.350 ( -0.345 0.049 -0.832) 0.903 ======================= Grid point 150 (66/216) ======================= q-point: (-0.10 0.20 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.697 ( -1.255 30.245 13.235) 33.038 1.880 ( -16.984 34.276 1.534) 38.284 2.845 ( -19.378 35.781 28.161) 49.485 3.649 ( 7.358 6.439 -5.836) 11.387 3.932 ( -3.709 0.093 -6.693) 7.653 4.209 ( 3.954 -4.690 -1.718) 6.371 4.320 ( -1.702 -1.893 7.868) 8.269 4.573 ( -8.612 -5.480 -6.007) 11.844 4.785 ( -2.884 -14.438 4.129) 15.292 5.061 ( 11.019 3.381 -3.072) 11.928 5.639 ( -1.907 6.274 10.087) 12.031 6.637 ( -6.288 1.607 -17.559) 18.720 7.048 ( 7.114 3.913 -7.896) 11.326 7.114 ( 5.413 -5.451 8.308) 11.315 7.505 ( 6.451 -10.796 -16.540) 20.779 8.215 ( -2.306 10.574 -11.095) 15.499 9.259 ( -0.515 -8.209 6.413) 10.429 9.640 ( 0.782 7.123 12.842) 14.706 10.068 ( -4.709 -1.562 -4.036) 6.395 10.467 ( -2.520 -7.689 3.755) 8.920 11.829 ( 1.079 5.284 1.257) 5.538 12.118 ( 1.776 4.699 -1.150) 5.153 12.355 ( -0.452 -0.147 0.985) 1.094 12.512 ( -0.820 -2.493 1.092) 2.843 12.915 ( 0.444 -9.176 0.971) 9.238 13.151 ( 0.794 -6.368 0.808) 6.467 13.791 ( 0.668 1.705 -1.286) 2.238 13.972 ( 0.397 -0.700 -2.441) 2.570 14.176 ( -0.103 1.474 2.923) 3.275 14.346 ( 0.076 0.722 -0.277) 0.777 ======================= Grid point 151 (67/216) ======================= q-point: ( 0.00 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.332 ( -3.666 32.313 0.549) 32.525 2.394 ( -4.323 32.296 7.441) 33.423 3.350 ( 2.579 16.419 1.425) 16.681 3.855 ( 0.505 -3.796 -3.645) 5.287 3.876 ( -5.044 5.713 9.328) 12.045 4.168 ( 1.746 2.769 0.256) 3.284 4.284 ( -2.855 3.465 7.550) 8.784 4.436 ( 1.746 -11.274 3.152) 11.836 4.511 ( 2.903 2.807 -4.840) 6.303 5.114 ( 1.073 -2.207 -5.943) 6.430 5.955 ( 0.833 9.729 5.934) 11.427 6.385 ( -7.413 -1.586 -10.027) 12.570 7.029 ( 2.871 -23.785 1.881) 24.032 7.302 ( 5.797 0.868 13.008) 14.268 7.535 ( 11.248 12.728 -16.844) 23.922 8.359 ( 2.863 6.902 -11.910) 14.060 9.087 ( -4.605 -3.993 2.755) 6.689 9.799 ( -5.066 2.922 9.238) 10.934 9.936 ( 1.988 -3.301 -5.752) 6.924 10.234 ( -3.012 -7.998 4.982) 9.893 11.968 ( 0.071 6.325 2.071) 6.656 12.257 ( 0.860 7.477 -0.571) 7.548 12.348 ( -0.113 -0.214 0.373) 0.445 12.432 ( -1.196 -3.249 0.693) 3.531 12.719 ( -0.235 -10.477 1.198) 10.548 13.006 ( 0.067 -8.323 -0.877) 8.369 13.835 ( 0.769 1.556 -1.867) 2.549 13.942 ( -0.045 -1.345 -2.669) 2.989 14.212 ( -0.615 2.057 2.731) 3.474 14.354 ( 0.050 -0.456 0.884) 0.996 ======================= Grid point 152 (68/216) ======================= q-point: ( 0.10 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.234 ( -4.860 35.497 -1.360) 35.854 2.389 ( 2.050 25.618 9.086) 27.258 3.369 ( -1.467 6.659 -9.332) 11.557 3.758 ( -6.581 7.419 3.915) 10.662 3.918 ( 3.830 -0.821 6.843) 7.884 4.150 ( -1.140 -4.110 2.041) 4.729 4.335 ( 2.031 5.910 1.709) 6.478 4.466 ( 4.102 5.625 0.321) 6.969 4.620 ( 5.593 -3.674 3.443) 7.525 5.147 ( 4.376 -8.503 -5.243) 10.906 5.944 ( -3.202 6.286 5.855) 9.168 6.206 ( -7.577 -0.314 -10.969) 13.336 6.976 ( -8.506 -20.237 5.135) 22.545 7.405 ( 2.265 2.918 5.783) 6.862 7.754 ( 12.866 6.632 -1.862) 14.594 8.422 ( 3.657 3.319 -7.748) 9.188 9.009 ( -0.824 0.584 -4.086) 4.209 9.715 ( -4.783 3.003 5.718) 8.037 9.968 ( 1.316 -4.618 -4.336) 6.469 10.253 ( 4.043 -5.381 3.478) 7.576 11.960 ( -1.461 5.717 1.925) 6.207 12.267 ( 0.092 8.034 0.426) 8.046 12.347 ( -0.154 -0.531 0.333) 0.646 12.421 ( 0.008 -2.293 -0.218) 2.303 12.719 ( -0.048 -10.337 1.061) 10.391 13.006 ( 0.283 -7.530 -1.135) 7.620 13.844 ( 0.549 1.471 -1.437) 2.128 13.936 ( 0.245 -1.009 -2.914) 3.094 14.202 ( -1.133 2.381 2.577) 3.687 14.355 ( -0.152 -0.744 1.062) 1.306 ======================= Grid point 153 (69/216) ======================= q-point: ( 0.20 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.186 ( 0.527 26.893 2.073) 26.978 2.531 ( 10.092 22.042 3.637) 24.514 3.271 ( -3.673 3.163 -11.021) 12.040 3.628 ( -7.741 6.139 1.335) 9.969 3.996 ( 0.269 -0.719 5.097) 5.154 4.143 ( -0.946 -1.361 1.346) 2.135 4.318 ( -0.448 -7.581 -5.732) 9.514 4.614 ( 6.366 5.344 2.266) 8.615 4.738 ( 7.039 8.123 6.345) 12.481 5.260 ( 8.335 -12.344 -1.884) 15.014 5.884 ( -4.136 -3.543 2.793) 6.120 6.028 ( -7.780 1.443 -6.387) 10.169 6.766 ( -13.982 -13.997 8.624) 21.582 7.459 ( 2.161 1.404 1.415) 2.940 7.970 ( 6.257 -1.019 10.194) 12.005 8.335 ( -9.650 -4.245 1.054) 10.595 9.111 ( 12.097 10.736 -17.799) 24.050 9.655 ( -2.344 7.686 7.097) 10.720 9.979 ( 2.411 -6.026 -7.418) 9.857 10.380 ( 6.930 -2.498 2.102) 7.661 11.930 ( -1.929 5.625 1.683) 6.180 12.262 ( -0.776 8.317 0.954) 8.408 12.344 ( -0.177 -1.325 0.358) 1.384 12.427 ( 0.588 -0.264 -0.759) 0.996 12.724 ( 0.182 -9.503 0.932) 9.551 13.008 ( 0.221 -6.022 -1.553) 6.223 13.847 ( 0.110 1.756 -0.996) 2.022 13.937 ( 0.834 -0.559 -3.050) 3.211 14.185 ( -1.315 2.594 2.522) 3.849 14.354 ( -0.305 -1.289 1.192) 1.782 ======================= Grid point 154 (70/216) ======================= q-point: ( 0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.269 ( 7.228 13.338 0.496) 15.179 2.788 ( 15.095 17.373 2.009) 23.102 3.193 ( -1.773 5.023 -7.769) 9.420 3.470 ( -7.705 4.050 -2.881) 9.169 3.921 ( -7.593 4.009 2.339) 8.899 4.126 ( -0.986 -0.907 -0.650) 1.489 4.307 ( -0.466 -8.031 -2.608) 8.456 4.681 ( 1.674 -4.571 -4.857) 6.877 4.941 ( 11.001 2.474 5.815) 12.687 5.450 ( 9.698 -7.589 0.025) 12.314 5.802 ( -1.478 -24.249 -11.803) 27.009 5.885 ( -7.611 12.500 11.368) 18.532 6.521 ( -13.564 -9.888 12.980) 21.219 7.441 ( -7.880 -7.532 5.803) 12.349 7.979 ( -5.459 -2.393 10.787) 12.324 8.240 ( -0.290 3.353 1.277) 3.600 9.219 ( 3.196 9.361 -17.596) 20.186 9.724 ( 7.817 11.090 2.223) 13.749 10.034 ( 5.628 -3.750 -7.184) 9.867 10.505 ( 5.083 0.217 0.272) 5.095 11.900 ( -1.507 6.168 1.702) 6.573 12.244 ( -1.217 8.703 0.565) 8.805 12.344 ( 0.098 -2.219 0.375) 2.252 12.436 ( 0.511 1.410 -0.535) 1.592 12.730 ( 0.183 -8.152 0.833) 8.197 13.005 ( 0.063 -4.371 -1.838) 4.742 13.843 ( -0.226 2.263 -0.718) 2.385 13.949 ( 1.301 -0.254 -2.959) 3.242 14.168 ( -1.196 2.677 2.484) 3.843 14.351 ( -0.400 -1.945 1.201) 2.321 ======================= Grid point 155 (71/216) ======================= q-point: ( 0.40 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.447 ( 10.574 -0.114 -1.953) 10.753 3.070 ( 0.965 3.519 -4.261) 5.610 3.142 ( 8.181 14.517 2.919) 16.918 3.350 ( -2.513 5.530 -5.511) 8.202 3.793 ( -4.730 1.108 1.933) 5.229 4.089 ( -2.772 4.093 1.243) 5.098 4.269 ( -2.172 -3.244 -3.355) 5.147 4.658 ( -0.909 -9.357 -11.185) 14.611 5.181 ( 10.571 -8.085 3.749) 13.827 5.497 ( -1.420 -14.392 -15.492) 21.193 5.766 ( -9.013 13.984 15.508) 22.744 5.916 ( 14.664 -19.258 -1.231) 24.237 6.345 ( -8.634 -10.647 18.788) 23.257 7.157 ( -21.792 -16.338 13.416) 30.361 7.983 ( 2.795 6.813 -0.045) 7.364 8.200 ( -5.163 7.152 2.387) 9.138 9.201 ( 1.213 7.552 -11.678) 13.960 9.887 ( 7.759 6.221 -5.123) 11.187 10.150 ( 7.023 2.018 -3.571) 8.133 10.570 ( 1.857 2.850 -1.412) 3.683 11.882 ( -0.920 6.760 1.863) 7.072 12.220 ( -1.140 9.112 -0.453) 9.195 12.352 ( 0.561 -2.898 1.132) 3.161 12.444 ( 0.397 2.541 -0.345) 2.595 12.734 ( -0.021 -6.987 0.742) 7.026 13.001 ( 0.135 -3.160 -1.865) 3.672 13.835 ( -0.289 2.704 -0.639) 2.794 13.967 ( 1.283 -0.045 -2.682) 2.973 14.155 ( -0.847 2.639 2.475) 3.716 14.346 ( -0.454 -2.489 1.053) 2.740 ======================= Grid point 156 (72/216) ======================= q-point: (-0.50 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.625 ( 5.570 -9.933 -1.662) 11.508 2.915 ( -6.539 -1.136 -5.643) 8.712 3.223 ( -4.599 7.486 -0.488) 8.799 3.498 ( 14.626 15.430 6.539) 22.243 3.767 ( 1.345 -1.094 -3.219) 3.656 4.030 ( -4.494 10.304 5.971) 12.729 4.239 ( 2.435 -1.583 -7.558) 8.097 4.616 ( 1.413 -10.459 -15.124) 18.442 5.246 ( -4.928 -17.128 -4.224) 18.316 5.468 ( 1.732 -6.678 -11.451) 13.368 5.642 ( -6.819 12.122 16.464) 21.552 6.199 ( 8.533 -11.210 1.617) 14.180 6.362 ( 8.944 -20.603 19.009) 29.425 6.764 ( -20.862 -16.407 14.880) 30.428 7.944 ( -8.020 10.305 -8.800) 15.746 8.140 ( 0.718 7.114 2.238) 7.492 9.223 ( 3.960 7.507 -7.479) 11.313 9.988 ( 4.425 2.856 -5.168) 7.379 10.229 ( 0.626 4.469 -1.767) 4.846 10.584 ( 0.638 4.359 -2.081) 4.873 11.874 ( -0.525 6.875 1.951) 7.166 12.200 ( -0.555 9.372 -1.367) 9.487 12.371 ( 0.727 -3.167 2.230) 3.941 12.449 ( 0.276 2.994 -0.406) 3.034 12.735 ( -0.109 -6.522 0.662) 6.556 13.001 ( 0.442 -2.838 -1.735) 3.355 13.829 ( -0.158 2.896 -0.798) 3.008 13.981 ( 0.822 0.070 -2.355) 2.495 14.151 ( -0.356 2.473 2.598) 3.604 14.340 ( -0.411 -2.677 0.801) 2.824 ======================= Grid point 157 (73/216) ======================= q-point: (-0.40 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.526 ( -12.697 -4.454 1.923) 13.592 2.917 ( 6.371 -8.723 -9.190) 14.182 3.154 ( -2.391 10.874 3.913) 11.801 3.697 ( -0.791 7.871 11.321) 13.811 3.814 ( 6.826 7.180 -6.788) 12.009 3.967 ( -1.609 7.128 1.134) 7.395 4.363 ( 11.020 -1.123 -2.629) 11.385 4.636 ( 5.119 -6.315 -16.795) 18.659 5.075 ( -9.399 -9.352 -3.084) 13.613 5.341 ( -12.087 1.982 -0.361) 12.253 5.638 ( 0.447 0.512 7.167) 7.199 6.289 ( 0.731 -7.943 10.451) 13.147 6.502 ( -6.950 -18.709 15.821) 25.469 6.711 ( 17.537 -20.564 2.173) 27.114 7.711 ( -10.516 11.068 -13.980) 20.701 8.172 ( 1.398 3.084 0.306) 3.400 9.299 ( 5.432 8.693 -5.920) 11.837 10.015 ( -2.515 9.462 1.960) 9.985 10.172 ( -3.292 -1.771 -4.977) 6.225 10.582 ( -0.958 3.158 -0.736) 3.381 11.874 ( -0.027 6.548 1.883) 6.814 12.193 ( 0.261 9.402 -1.765) 9.570 12.387 ( -0.052 -2.408 2.437) 3.427 12.455 ( 0.491 1.910 0.020) 1.972 12.734 ( -0.150 -6.887 0.662) 6.920 13.007 ( 0.638 -3.561 -1.583) 3.949 13.825 ( 0.022 2.820 -1.216) 3.071 13.984 ( 0.178 -0.010 -2.120) 2.127 14.157 ( 0.173 2.207 2.885) 3.637 14.336 ( -0.207 -2.367 0.573) 2.444 ======================= Grid point 158 (74/216) ======================= q-point: (-0.30 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.291 ( -9.994 7.953 2.530) 13.020 3.002 ( -1.294 1.484 6.296) 6.597 3.114 ( 1.232 10.577 -9.149) 14.039 3.684 ( 0.334 -0.529 8.646) 8.668 3.903 ( 3.272 4.021 -3.425) 6.213 3.979 ( 1.325 6.221 -0.113) 6.362 4.560 ( 6.028 -10.100 2.297) 11.984 4.655 ( -1.556 -6.507 -8.757) 11.020 4.932 ( -7.066 17.085 0.640) 18.500 5.082 ( -6.798 2.786 -7.404) 10.431 5.643 ( -2.275 -2.988 9.622) 10.329 6.352 ( 6.205 -8.528 6.677) 12.482 6.542 ( 3.685 -18.221 8.646) 20.502 6.992 ( 9.529 -13.750 -2.100) 16.860 7.501 ( -5.060 8.253 -17.310) 19.834 8.208 ( 2.919 -3.053 -0.140) 4.226 9.373 ( 3.053 10.833 -6.995) 13.251 9.878 ( -10.735 12.679 8.576) 18.696 10.138 ( 0.361 -5.388 -5.893) 7.993 10.529 ( -4.718 -0.457 1.826) 5.079 11.886 ( 0.750 6.271 1.656) 6.529 12.200 ( 0.956 8.980 -1.668) 9.183 12.381 ( -0.973 -0.796 1.639) 2.066 12.468 ( 0.492 -0.445 0.936) 1.147 12.732 ( -0.363 -7.923 0.824) 7.974 13.014 ( 0.442 -5.095 -1.413) 5.306 13.822 ( 0.201 2.566 -1.746) 3.110 13.976 ( -0.273 -0.320 -2.047) 2.089 14.173 ( 0.529 1.927 3.149) 3.730 14.336 ( 0.088 -1.678 0.488) 1.749 ======================= Grid point 159 (75/216) ======================= q-point: (-0.20 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.201 ( -0.049 21.326 5.648) 22.061 2.814 ( -14.561 26.786 4.268) 30.785 3.232 ( 8.571 -0.146 -6.304) 10.641 3.769 ( 4.820 -8.056 3.578) 10.047 3.933 ( -0.687 15.449 7.583) 17.223 3.997 ( 1.285 -5.028 -1.140) 5.313 4.503 ( -7.462 -10.525 2.972) 13.239 4.631 ( -0.931 -0.287 -6.703) 6.773 4.657 ( -15.714 4.496 5.369) 17.204 5.127 ( 5.055 13.669 -14.293) 20.413 5.683 ( 4.703 5.130 13.942) 15.582 6.573 ( 13.129 -16.376 1.399) 21.035 6.610 ( 1.204 -12.341 1.278) 12.466 7.067 ( 1.682 -1.418 -3.738) 4.337 7.430 ( 1.894 2.610 -16.915) 17.220 8.293 ( 5.426 -6.151 -1.801) 8.398 9.326 ( -6.083 11.480 -6.091) 14.349 9.756 ( -3.177 8.026 10.634) 13.697 10.109 ( -2.331 -3.517 -4.841) 6.421 10.420 ( -6.903 -5.227 4.947) 9.972 11.913 ( 1.436 6.383 1.533) 6.720 12.218 ( 1.283 8.108 -1.378) 8.324 12.365 ( -1.000 -0.210 1.111) 1.509 12.472 ( -0.456 -1.917 1.227) 2.321 12.726 ( -0.473 -9.205 1.067) 9.278 13.015 ( 0.012 -6.827 -1.180) 6.928 13.823 ( 0.423 2.234 -2.106) 3.099 13.964 ( -0.323 -0.782 -2.151) 2.312 14.194 ( 0.507 1.761 3.183) 3.673 14.341 ( 0.270 -0.960 0.558) 1.142 ======================= Grid point 160 (76/216) ======================= q-point: (-0.10 0.30 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.290 ( 4.827 28.706 8.872) 30.431 2.551 ( -11.950 32.543 0.115) 34.668 3.323 ( 1.334 11.107 0.225) 11.189 3.832 ( 2.123 -3.864 -4.146) 6.052 3.933 ( -3.198 8.214 13.831) 16.401 4.066 ( 6.021 -4.670 1.731) 7.814 4.383 ( -7.130 7.674 6.613) 12.388 4.444 ( -5.435 -13.146 1.288) 14.283 4.552 ( -3.620 2.176 -8.707) 9.678 5.128 ( -0.038 4.251 -7.805) 8.887 5.858 ( 6.890 11.804 9.460) 16.622 6.542 ( -5.576 -8.002 -6.425) 11.679 6.855 ( 13.131 -19.011 -0.129) 23.105 7.142 ( 6.485 2.335 4.430) 8.193 7.438 ( 4.459 4.715 -17.640) 18.796 8.361 ( 2.009 0.608 -7.217) 7.516 9.176 ( -6.347 2.515 0.323) 6.834 9.786 ( 1.537 7.196 10.069) 12.471 10.010 ( -5.602 -4.368 -5.954) 9.269 10.309 ( -5.943 -8.149 6.380) 11.934 11.947 ( 1.368 6.598 1.785) 6.971 12.239 ( 1.204 7.367 -1.123) 7.549 12.352 ( -0.547 -0.170 0.736) 0.933 12.457 ( -1.375 -2.845 1.124) 3.354 12.721 ( -0.363 -10.120 1.222) 10.200 13.009 ( -0.158 -8.059 -0.939) 8.115 13.827 ( 0.672 1.873 -2.131) 2.916 13.952 ( -0.171 -1.225 -2.391) 2.692 14.209 ( 0.061 1.800 2.988) 3.489 14.348 ( 0.228 -0.517 0.707) 0.905 ======================= Grid point 161 (77/216) ======================= q-point: ( 0.00 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.873 ( -1.553 23.813 5.764) 24.549 3.026 ( -6.057 29.630 -0.482) 30.247 3.517 ( 2.778 4.160 -7.262) 8.818 3.668 ( 0.951 -12.846 1.633) 12.985 3.785 ( 0.061 -8.148 1.892) 8.365 4.023 ( -0.305 -19.671 4.861) 20.265 4.277 ( 1.070 4.012 3.359) 5.340 4.450 ( -0.110 0.132 -2.233) 2.239 4.954 ( 2.079 35.217 5.975) 35.781 5.190 ( -3.148 10.166 -9.612) 14.340 5.852 ( -4.475 -13.858 -7.822) 16.530 6.388 ( -1.029 -22.911 6.411) 23.814 6.686 ( 1.649 9.471 4.630) 10.671 7.231 ( 5.334 -8.199 10.357) 14.246 7.835 ( 11.297 15.941 -11.102) 22.472 8.357 ( 5.496 -7.148 -6.811) 11.301 9.144 ( -5.931 9.720 -3.773) 11.996 9.676 ( -6.142 -12.374 -6.474) 15.256 9.969 ( 0.896 4.291 6.022) 7.449 10.120 ( -1.884 -4.045 7.511) 8.737 12.105 ( -0.441 7.605 1.793) 7.826 12.344 ( -0.878 -0.055 0.641) 1.088 12.368 ( -0.009 -2.821 1.070) 3.017 12.416 ( 0.887 5.998 -2.115) 6.422 12.530 ( -0.346 -6.323 2.185) 6.699 12.829 ( 0.353 -9.485 -1.262) 9.575 13.864 ( 0.557 1.384 -2.411) 2.835 13.917 ( 0.089 -1.286 -2.511) 2.823 14.254 ( -0.323 2.172 2.687) 3.470 14.333 ( -0.089 -1.539 1.630) 2.243 ======================= Grid point 162 (78/216) ======================= q-point: ( 0.10 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.849 ( -5.061 22.290 8.548) 24.404 2.894 ( -2.572 27.787 -5.114) 28.371 3.478 ( -3.192 6.035 -9.241) 11.490 3.744 ( 3.134 -8.868 1.040) 9.463 3.770 ( -0.815 -8.580 5.781) 10.378 4.006 ( -1.896 -11.616 3.170) 12.190 4.332 ( 1.487 -3.394 1.229) 3.904 4.454 ( 1.696 -1.119 -0.728) 2.158 5.009 ( -0.489 22.297 -10.147) 24.502 5.159 ( 4.691 16.242 6.650) 18.167 5.702 ( -7.300 -16.928 -14.632) 23.536 6.331 ( -6.566 -15.799 8.752) 19.218 6.712 ( -1.806 10.026 9.464) 13.905 7.347 ( 2.312 -9.341 12.188) 15.529 7.937 ( 2.593 11.154 -3.202) 11.891 8.361 ( -4.656 -7.985 -1.625) 9.385 9.148 ( 9.082 11.822 -11.593) 18.884 9.639 ( 3.787 -9.702 -9.872) 14.350 9.970 ( -2.148 4.127 6.066) 7.645 10.158 ( 3.982 -4.580 6.251) 8.712 12.088 ( -1.654 7.178 1.512) 7.520 12.321 ( -1.324 -2.418 0.307) 2.774 12.378 ( 0.435 0.229 1.372) 1.457 12.444 ( 2.283 6.327 -1.603) 6.915 12.534 ( 0.220 -6.408 1.667) 6.625 12.839 ( 1.031 -9.260 -1.336) 9.412 13.870 ( 0.719 1.229 -2.188) 2.611 13.915 ( 0.572 -1.052 -2.697) 2.951 14.250 ( -0.857 2.410 2.697) 3.717 14.332 ( -0.501 -1.561 1.791) 2.428 ======================= Grid point 163 (79/216) ======================= q-point: ( 0.20 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.717 ( -7.586 24.961 4.501) 26.473 2.941 ( 5.333 17.705 -0.861) 18.511 3.398 ( -1.465 9.628 -8.249) 12.762 3.671 ( -6.717 -2.542 4.389) 8.417 3.871 ( 5.333 -11.140 1.108) 12.400 4.005 ( 1.756 -7.635 -0.241) 7.838 4.296 ( -3.543 0.062 -5.660) 6.678 4.508 ( 2.390 -7.130 2.271) 7.855 4.902 ( -4.236 3.374 -16.821) 17.672 5.357 ( 8.951 14.702 12.160) 21.074 5.498 ( -7.252 -14.251 -16.919) 23.280 6.209 ( -8.338 -7.083 11.095) 15.582 6.642 ( -9.495 10.379 16.553) 21.723 7.356 ( -6.284 -12.840 13.832) 19.891 7.982 ( 1.788 3.962 3.329) 5.475 8.234 ( -4.076 -5.769 -0.506) 7.082 9.344 ( 11.703 11.693 -18.096) 24.519 9.702 ( 4.957 -4.661 -10.570) 12.571 9.974 ( 2.274 6.810 5.676) 9.152 10.296 ( 7.967 -6.019 4.143) 10.810 12.059 ( -1.560 7.234 1.593) 7.570 12.299 ( -1.084 -3.394 0.533) 3.602 12.388 ( 0.097 2.995 1.699) 3.445 12.483 ( 1.967 6.959 -1.822) 7.457 12.551 ( 1.123 -7.123 1.035) 7.285 12.858 ( 1.290 -8.935 -1.756) 9.197 13.878 ( 0.699 1.433 -1.895) 2.476 13.923 ( 1.087 -0.830 -2.917) 3.222 14.238 ( -1.177 2.625 2.719) 3.959 14.325 ( -0.818 -1.702 1.989) 2.743 ======================= Grid point 164 (80/216) ======================= q-point: ( 0.30 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -5.525 18.463 1.294) 19.316 3.061 ( 4.755 5.734 2.380) 7.820 3.362 ( -1.062 10.856 -3.285) 11.392 3.575 ( -1.093 9.347 -3.105) 9.910 3.950 ( 1.423 -6.630 -1.140) 6.876 4.064 ( 4.106 -3.081 -2.730) 5.814 4.209 ( -1.531 0.409 -8.121) 8.274 4.530 ( -1.104 -9.203 -2.966) 9.732 4.794 ( -0.817 -8.408 -9.166) 12.465 5.255 ( -7.258 -24.823 -21.435) 33.591 5.623 ( 9.957 15.637 14.322) 23.426 6.084 ( -7.956 0.025 12.161) 14.532 6.460 ( -14.094 7.609 21.203) 26.572 7.157 ( -18.488 -18.962 18.484) 32.296 8.032 ( 3.914 6.147 1.570) 7.454 8.251 ( 3.202 -2.193 0.944) 3.994 9.414 ( 1.492 10.001 -15.638) 18.622 9.765 ( 4.717 -6.043 -12.717) 14.849 10.118 ( 10.054 10.772 3.936) 15.252 10.464 ( 7.698 -4.511 1.247) 9.009 12.040 ( -0.976 7.533 1.880) 7.825 12.283 ( -0.701 -3.953 1.018) 4.142 12.391 ( -0.249 5.187 1.345) 5.364 12.509 ( 1.414 6.893 -1.992) 7.313 12.580 ( 1.335 -6.740 0.676) 6.904 12.876 ( 1.167 -8.459 -2.193) 8.816 13.885 ( 0.547 1.967 -1.645) 2.622 13.939 ( 1.437 -0.756 -3.011) 3.420 14.222 ( -1.221 2.709 2.681) 4.002 14.313 ( -0.980 -1.928 2.136) 3.040 ======================= Grid point 165 (81/216) ======================= q-point: ( 0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.522 ( -1.613 8.040 -2.329) 8.525 3.001 ( -10.185 -10.374 -1.108) 14.580 3.422 ( 5.713 14.465 0.704) 15.568 3.630 ( 7.173 19.912 -3.778) 21.499 3.905 ( -2.105 6.147 -7.954) 10.271 4.135 ( 3.524 -1.231 -2.248) 4.358 4.210 ( 2.341 1.702 -6.396) 7.020 4.437 ( -3.893 -11.863 -11.773) 17.161 4.855 ( 5.123 -17.653 0.319) 18.384 5.106 ( 0.717 -24.733 -19.539) 31.528 5.847 ( 8.871 6.031 12.501) 16.473 5.971 ( -7.488 4.967 12.645) 15.512 6.250 ( -13.449 3.165 23.313) 27.099 6.805 ( -22.222 -18.342 20.802) 35.538 8.128 ( 4.442 7.171 -1.572) 8.581 8.281 ( -1.284 0.975 1.118) 1.962 9.383 ( 0.960 10.564 -11.847) 15.901 9.812 ( 4.265 -9.207 -12.108) 15.798 10.321 ( 8.359 10.708 1.832) 13.707 10.584 ( 4.275 -1.738 -0.664) 4.663 12.031 ( -0.589 7.813 2.041) 8.096 12.278 ( -0.230 -4.148 1.494) 4.414 12.389 ( -0.243 6.557 0.757) 6.605 12.528 ( 1.047 6.703 -1.930) 7.054 12.601 ( 0.639 -6.193 0.522) 6.248 12.889 ( 0.851 -7.977 -2.395) 8.372 13.889 ( 0.347 2.604 -1.530) 3.041 13.959 ( 1.372 -0.812 -2.910) 3.318 14.208 ( -1.000 2.635 2.583) 3.823 14.301 ( -0.936 -2.160 2.151) 3.189 ======================= Grid point 166 (82/216) ======================= q-point: (-0.50 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 0.654 -0.637 -4.517) 4.609 2.794 ( -7.269 -9.901 -6.472) 13.884 3.432 ( -3.357 12.948 -3.393) 13.799 3.778 ( 4.182 8.599 3.103) 10.053 3.923 ( 6.473 13.750 -4.956) 15.985 4.146 ( -1.142 0.441 -5.398) 5.535 4.248 ( 3.002 5.983 -5.066) 8.394 4.407 ( 6.166 -9.237 -14.789) 18.494 4.855 ( -1.580 -16.803 -3.624) 17.262 5.230 ( 11.914 -19.474 -12.255) 25.911 5.867 ( -7.381 9.441 15.949) 19.949 6.053 ( 7.370 -6.593 15.253) 18.178 6.109 ( -5.115 -1.423 18.019) 18.785 6.454 ( -19.105 -14.614 20.422) 31.553 8.121 ( -5.587 7.368 -7.035) 11.619 8.236 ( -1.793 2.272 -0.716) 2.981 9.407 ( 4.572 10.862 -8.137) 14.321 9.868 ( 4.782 -10.475 -9.431) 14.884 10.415 ( 0.264 10.000 1.514) 10.117 10.628 ( 0.695 -0.231 -1.127) 1.344 12.027 ( -0.485 8.085 2.037) 8.352 12.283 ( 0.227 -3.883 1.833) 4.300 12.387 ( -0.141 6.674 0.515) 6.695 12.537 ( 0.356 6.648 -1.856) 6.912 12.608 ( -0.103 -6.093 0.453) 6.110 12.895 ( 0.430 -7.781 -2.390) 8.151 13.889 ( 0.128 3.041 -1.601) 3.439 13.973 ( 0.832 -0.932 -2.696) 2.972 14.200 ( -0.567 2.461 2.528) 3.574 14.291 ( -0.615 -2.292 2.018) 3.116 ======================= Grid point 167 (83/216) ======================= q-point: (-0.40 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.485 ( -1.519 1.388 -3.452) 4.018 2.749 ( 5.104 -8.733 -10.374) 14.489 3.362 ( -1.835 10.863 -0.225) 11.019 3.798 ( -0.798 -1.688 -3.293) 3.786 3.993 ( -2.156 9.798 1.338) 10.122 4.116 ( 0.789 5.624 -3.489) 6.665 4.291 ( 3.591 -1.234 -4.720) 6.058 4.501 ( 3.371 -8.533 -11.110) 14.408 4.930 ( 13.019 0.942 -5.843) 14.301 5.334 ( 1.198 -6.505 -13.200) 14.765 5.770 ( -8.193 11.678 22.587) 26.714 6.118 ( 2.456 -9.909 18.701) 21.306 6.196 ( -10.287 -10.395 21.530) 26.027 6.339 ( 14.169 -16.075 3.593) 21.728 7.922 ( -10.195 9.962 -12.040) 18.658 8.181 ( -3.545 -2.164 -4.145) 5.867 9.500 ( 6.508 11.153 -5.633) 14.088 9.939 ( 4.635 -9.700 -6.050) 12.336 10.339 ( -8.269 11.041 2.180) 13.965 10.600 ( -3.648 -1.555 -0.058) 3.966 12.025 ( -0.193 8.336 2.060) 8.589 12.297 ( 0.648 -3.339 2.134) 4.015 12.385 ( -0.243 5.883 0.463) 5.907 12.528 ( -0.688 5.860 -1.787) 6.165 12.602 ( -0.624 -5.916 0.452) 5.966 12.891 ( -0.132 -8.068 -2.332) 8.399 13.885 ( -0.058 3.089 -1.871) 3.612 13.974 ( 0.048 -1.083 -2.486) 2.713 14.202 ( -0.031 2.275 2.594) 3.450 14.290 ( -0.069 -2.246 1.810) 2.885 ======================= Grid point 168 (84/216) ======================= q-point: (-0.30 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.489 ( 3.598 11.631 -1.829) 12.311 2.889 ( 10.958 -7.101 -6.098) 14.412 3.368 ( 1.736 8.897 -0.081) 9.065 3.751 ( -3.248 -1.477 -1.408) 3.835 3.877 ( -6.762 4.068 -2.517) 8.283 4.135 ( 0.158 3.641 0.437) 3.670 4.341 ( 1.385 -5.555 -2.592) 6.284 4.487 ( -0.291 -9.232 -4.769) 10.395 5.199 ( 1.438 7.135 -7.668) 10.572 5.253 ( 7.103 10.608 -15.184) 19.838 5.713 ( -3.754 10.563 26.165) 28.466 6.133 ( -1.105 -12.473 13.961) 18.754 6.263 ( 7.035 -8.473 12.570) 16.712 6.666 ( 16.057 -18.344 3.519) 24.631 7.697 ( -7.587 10.924 -16.002) 20.807 8.094 ( -2.734 -7.829 -6.209) 10.359 9.604 ( 5.234 11.761 -5.804) 14.121 10.002 ( 3.071 -7.904 -3.879) 9.324 10.130 ( -13.316 12.035 5.002) 18.633 10.480 ( -8.865 -4.632 2.164) 10.233 12.034 ( 0.557 8.441 2.120) 8.721 12.319 ( 0.820 -2.786 2.398) 3.766 12.380 ( -0.397 5.136 0.403) 5.167 12.501 ( -1.435 4.050 -1.891) 4.694 12.585 ( -1.269 -5.618 0.704) 5.802 12.876 ( -0.694 -8.733 -2.235) 9.041 13.877 ( -0.120 2.783 -2.224) 3.564 13.961 ( -0.515 -1.232 -2.365) 2.716 14.214 ( 0.398 2.122 2.708) 3.463 14.299 ( 0.402 -2.054 1.638) 2.658 ======================= Grid point 169 (85/216) ======================= q-point: (-0.20 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 9.079 20.033 2.553) 22.142 3.098 ( 8.857 -0.858 2.439) 9.227 3.381 ( 0.342 14.699 -6.376) 16.026 3.680 ( -2.101 1.417 0.158) 2.539 3.787 ( -1.754 -11.401 -2.777) 11.864 4.098 ( -4.692 -2.966 4.567) 7.188 4.323 ( -1.540 -3.387 -1.475) 4.002 4.482 ( 0.213 -6.735 -3.810) 7.741 5.051 ( -7.142 22.194 -0.233) 23.316 5.348 ( 0.743 9.534 -13.466) 16.516 5.815 ( 5.448 3.572 16.250) 17.507 6.209 ( 4.656 -17.429 7.983) 19.727 6.455 ( 8.936 -1.025 8.528) 12.395 6.932 ( 9.759 -11.818 2.768) 15.574 7.571 ( 0.601 10.622 -18.089) 20.986 8.083 ( 4.398 -13.188 -6.480) 15.338 9.606 ( -5.712 14.606 -8.689) 17.929 9.923 ( -6.761 8.656 9.263) 14.368 10.017 ( -1.434 -5.842 -4.215) 7.345 10.289 ( -10.875 -8.033 6.679) 15.080 12.060 ( 1.302 8.342 2.141) 8.711 12.339 ( 0.422 -2.233 2.185) 3.153 12.374 ( -0.300 4.725 0.477) 4.758 12.464 ( -1.647 2.216 -2.101) 3.469 12.559 ( -1.604 -5.863 1.251) 6.206 12.853 ( -0.883 -9.362 -1.985) 9.611 13.868 ( 0.002 2.295 -2.471) 3.372 13.943 ( -0.595 -1.345 -2.346) 2.769 14.231 ( 0.506 2.029 2.755) 3.458 14.313 ( 0.526 -1.827 1.553) 2.455 ======================= Grid point 170 (86/216) ======================= q-point: (-0.10 0.40 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.810 ( 7.103 23.582 6.676) 25.517 3.128 ( -5.160 23.927 3.091) 24.672 3.440 ( 7.060 3.706 -8.198) 11.436 3.670 ( -0.163 -9.171 -0.933) 9.220 3.771 ( 0.385 -11.033 0.046) 11.040 4.023 ( -2.949 -13.651 5.907) 15.164 4.289 ( -1.894 2.090 0.745) 2.917 4.464 ( -0.589 -1.963 -2.967) 3.605 4.954 ( -3.368 30.838 4.294) 31.318 5.279 ( -3.034 11.617 -9.478) 15.296 5.907 ( 0.358 -8.290 1.801) 8.491 6.329 ( 4.650 -22.564 5.781) 23.752 6.617 ( 4.753 7.107 5.068) 9.939 7.092 ( 6.353 -7.348 6.515) 11.697 7.631 ( 10.906 13.294 -17.225) 24.338 8.217 ( 9.843 -12.950 -6.790) 17.627 9.361 ( -13.669 13.773 -4.256) 19.866 9.878 ( -10.273 -9.230 -6.297) 15.178 9.921 ( 1.338 6.260 7.406) 9.789 10.160 ( -4.782 -6.653 9.235) 12.346 12.092 ( 1.115 8.074 2.075) 8.410 12.347 ( -0.034 -0.764 1.281) 1.492 12.371 ( -0.291 1.876 0.918) 2.109 12.428 ( -1.224 2.526 -2.358) 3.666 12.537 ( -1.027 -6.375 1.953) 6.746 12.834 ( -0.456 -9.596 -1.576) 9.735 13.863 ( 0.272 1.786 -2.521) 3.102 13.926 ( -0.324 -1.386 -2.399) 2.790 14.247 ( 0.220 2.032 2.724) 3.406 14.326 ( 0.307 -1.639 1.550) 2.277 ======================= Grid point 171 (87/216) ======================= q-point: ( 0.00 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.285 ( -4.120 -16.701 3.005) 17.463 3.285 ( -4.120 16.701 3.005) 17.463 3.580 ( 2.770 -19.286 3.179) 19.742 3.580 ( 2.770 19.286 3.179) 19.742 3.658 ( 0.528 -8.996 -3.123) 9.538 3.658 ( 0.528 8.996 -3.123) 9.538 4.378 ( 0.082 -5.526 -1.239) 5.664 4.378 ( 0.082 5.526 -1.239) 5.664 5.426 ( -0.908 -7.773 -10.301) 12.937 5.426 ( -0.908 7.773 -10.301) 12.937 5.793 ( -3.185 -26.737 7.477) 27.945 5.793 ( -3.185 26.737 7.477) 27.945 6.992 ( 3.584 -15.287 8.720) 17.960 6.992 ( 3.584 15.287 8.720) 17.960 8.136 ( 9.049 -13.953 -7.587) 18.280 8.136 ( 9.049 13.953 -7.587) 18.280 9.400 ( -6.530 -14.553 -6.498) 17.224 9.400 ( -6.530 14.553 -6.498) 17.224 10.048 ( -0.595 -3.615 7.076) 7.968 10.048 ( -0.595 3.615 7.076) 7.968 12.262 ( -1.128 -7.543 1.209) 7.722 12.262 ( -1.128 7.543 1.209) 7.722 12.372 ( 0.465 -2.655 0.430) 2.729 12.372 ( 0.465 2.655 0.430) 2.729 12.637 ( 0.440 -9.672 -0.587) 9.700 12.637 ( 0.440 9.672 -0.587) 9.700 13.891 ( 0.299 -1.323 -2.522) 2.864 13.891 ( 0.299 1.323 -2.522) 2.864 14.297 ( -0.155 -2.074 2.283) 3.088 14.297 ( -0.155 2.074 2.283) 3.088 ======================= Grid point 173 (88/216) ======================= q-point: ( 0.10 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.176 ( -5.911 -6.498 2.444) 9.118 3.176 ( -5.911 6.498 2.444) 9.118 3.619 ( -1.050 -6.798 -1.906) 7.138 3.619 ( -1.050 6.798 -1.906) 7.138 3.695 ( 4.040 -13.558 1.712) 14.250 3.695 ( 4.040 13.558 1.712) 14.250 4.376 ( 0.071 -5.241 -1.090) 5.354 4.376 ( 0.071 5.241 -1.090) 5.354 5.309 ( -6.983 -14.517 -15.298) 22.215 5.309 ( -6.983 14.517 -15.298) 22.215 5.797 ( 0.794 -30.258 9.535) 31.734 5.797 ( 0.794 30.258 9.535) 31.734 7.064 ( -0.377 -18.165 13.009) 22.346 7.064 ( -0.377 18.165 13.009) 22.346 8.164 ( -3.430 -11.248 -2.010) 11.930 8.164 ( -3.430 11.248 -2.010) 11.930 9.405 ( 8.716 -13.130 -12.694) 20.236 9.405 ( 8.716 13.130 -12.694) 20.236 10.065 ( 0.660 -4.886 7.167) 8.699 10.065 ( 0.660 4.886 7.167) 8.699 12.231 ( -1.903 -6.687 0.802) 6.999 12.231 ( -1.903 6.687 0.802) 6.999 12.399 ( 1.829 -2.815 0.768) 3.444 12.399 ( 1.829 2.815 0.768) 3.444 12.649 ( 0.965 -9.674 -0.716) 9.748 12.649 ( 0.965 9.674 -0.716) 9.748 13.894 ( 0.728 -1.147 -2.524) 2.866 13.894 ( 0.728 1.147 -2.524) 2.866 14.296 ( -0.649 -2.121 2.402) 3.269 14.296 ( -0.649 2.121 2.402) 3.269 ======================= Grid point 175 (89/216) ======================= q-point: ( 0.20 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.079 ( -5.827 -7.755 4.124) 10.541 3.079 ( -5.827 7.755 4.124) 10.541 3.585 ( -0.705 -7.088 -0.414) 7.135 3.585 ( -0.705 7.088 -0.414) 7.135 3.787 ( 5.828 -10.891 -3.825) 12.931 3.787 ( 5.828 10.891 -3.825) 12.931 4.366 ( -0.936 -6.989 -1.485) 7.206 4.366 ( -0.936 6.989 -1.485) 7.206 5.090 ( -9.616 -15.350 -18.625) 25.981 5.090 ( -9.616 15.350 -18.625) 25.981 5.859 ( 1.882 -22.814 11.419) 25.581 5.859 ( 1.882 22.814 11.419) 25.581 7.006 ( -11.141 -20.525 18.985) 30.096 7.006 ( -11.141 20.525 18.985) 30.096 8.104 ( -0.085 -7.149 -0.438) 7.162 8.104 ( -0.085 7.149 -0.438) 7.162 9.553 ( 8.257 -9.307 -15.941) 20.222 9.553 ( 8.257 9.307 -15.941) 20.222 10.146 ( 6.173 -8.861 6.338) 12.522 10.146 ( 6.173 8.861 6.338) 12.522 12.201 ( -1.489 -6.510 1.146) 6.776 12.201 ( -1.489 6.510 1.146) 6.776 12.439 ( 1.819 -3.426 0.867) 3.975 12.439 ( 1.819 3.426 0.867) 3.975 12.668 ( 1.265 -9.866 -1.468) 10.054 12.668 ( 1.265 9.866 -1.468) 10.054 13.904 ( 1.055 -1.145 -2.509) 2.953 13.904 ( 1.055 1.145 -2.509) 2.953 14.286 ( -1.020 -2.211 2.531) 3.512 14.286 ( -1.020 2.211 2.531) 3.512 ======================= Grid point 177 (90/216) ======================= q-point: ( 0.30 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.940 ( -9.658 -14.581 3.065) 17.756 2.940 ( -9.658 14.581 3.065) 17.756 3.627 ( 4.647 -14.696 2.144) 15.561 3.627 ( 4.647 14.696 2.144) 15.561 3.909 ( 8.761 -14.981 -9.519) 19.794 3.909 ( 8.761 14.981 -9.519) 19.794 4.328 ( -1.953 -10.636 -3.991) 11.527 4.328 ( -1.953 10.636 -3.991) 11.527 4.853 ( -8.414 -13.832 -16.604) 23.191 4.853 ( -8.414 13.832 -16.604) 23.191 5.923 ( 0.932 -13.113 11.481) 17.454 5.923 ( 0.932 13.113 11.481) 17.454 6.764 ( -18.728 -19.445 23.195) 35.593 6.764 ( -18.728 19.445 23.195) 35.593 8.164 ( 4.975 -6.182 0.126) 7.936 8.164 ( 4.975 6.182 0.126) 7.936 9.605 ( 2.451 -9.194 -14.268) 17.149 9.605 ( 2.451 9.194 -14.268) 17.149 10.327 ( 9.755 -9.189 2.716) 13.674 10.327 ( 9.755 9.189 2.716) 13.674 12.181 ( -0.909 -6.394 1.644) 6.664 12.181 ( -0.909 6.394 1.644) 6.664 12.472 ( 1.299 -4.227 0.841) 4.501 12.472 ( 1.299 4.227 0.841) 4.501 12.688 ( 1.322 -10.015 -2.234) 10.346 12.688 ( 1.322 10.015 -2.234) 10.346 13.919 ( 1.185 -1.376 -2.454) 3.053 13.919 ( 1.185 1.376 -2.454) 3.053 14.272 ( -1.186 -2.290 2.594) 3.658 14.272 ( -1.186 2.290 2.594) 3.658 ======================= Grid point 179 (91/216) ======================= q-point: ( 0.40 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( -9.615 -13.510 -1.087) 16.618 2.746 ( -9.615 13.510 -1.087) 16.618 3.723 ( 2.874 -14.388 0.040) 14.672 3.723 ( 2.874 14.388 0.040) 14.672 4.061 ( 8.423 -17.502 -7.249) 20.732 4.061 ( 8.423 17.502 -7.249) 20.732 4.291 ( 1.640 -7.322 -13.346) 15.311 4.291 ( 1.640 7.322 -13.346) 15.311 4.709 ( -1.223 -8.882 -6.525) 11.089 4.709 ( -1.223 8.882 -6.525) 11.089 5.960 ( -0.461 -4.143 10.871) 11.643 5.960 ( -0.461 4.143 10.871) 11.643 6.462 ( -18.733 -15.543 24.862) 34.794 6.462 ( -18.733 15.543 24.862) 34.794 8.245 ( 2.358 -4.284 -0.635) 4.932 8.245 ( 2.358 4.284 -0.635) 4.932 9.603 ( 2.175 -11.303 -11.917) 16.568 9.603 ( 2.175 11.303 -11.917) 16.568 10.498 ( 6.618 -6.832 0.532) 9.527 10.498 ( 6.618 6.832 0.532) 9.527 12.174 ( -0.415 -6.369 2.013) 6.693 12.174 ( -0.415 6.369 2.013) 6.693 12.493 ( 0.573 -4.858 0.657) 4.935 12.493 ( 0.573 4.858 0.657) 4.935 12.704 ( 1.053 -10.029 -2.583) 10.410 12.704 ( 1.053 10.029 -2.583) 10.410 13.933 ( 1.017 -1.780 -2.361) 3.127 13.933 ( 1.017 1.780 -2.361) 3.127 14.257 ( -1.086 -2.311 2.548) 3.607 14.257 ( -1.086 2.311 2.548) 3.607 ======================= Grid point 181 (92/216) ======================= q-point: (-0.50 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -3.851 -8.449 -5.844) 10.971 2.596 ( -3.851 8.449 -5.844) 10.971 3.701 ( -3.730 -12.861 -4.358) 14.082 3.701 ( -3.730 12.861 -4.358) 14.082 4.159 ( 3.445 -11.165 -4.532) 12.532 4.159 ( 3.445 11.165 -4.532) 12.532 4.306 ( 2.874 -8.202 -12.663) 15.358 4.306 ( 2.874 8.202 -12.663) 15.358 4.820 ( 13.313 -16.416 -2.661) 21.303 4.820 ( 13.313 16.416 -2.661) 21.303 5.978 ( -0.856 -2.881 12.772) 13.121 5.978 ( -0.856 2.881 12.772) 13.121 6.206 ( -14.232 -9.936 22.738) 28.606 6.206 ( -14.232 9.936 22.738) 28.606 8.227 ( -3.689 -3.094 -4.091) 6.318 8.227 ( -3.689 3.094 -4.091) 6.318 9.638 ( 4.698 -12.134 -8.719) 15.663 9.638 ( 4.698 12.134 -8.719) 15.663 10.571 ( 0.542 -5.486 0.162) 5.515 10.571 ( 0.542 5.486 0.162) 5.515 12.176 ( -0.086 -6.670 2.287) 7.051 12.176 ( -0.086 6.670 2.287) 7.051 12.498 ( -0.192 -5.091 0.422) 5.112 12.498 ( -0.192 5.091 0.422) 5.112 12.712 ( 0.452 -10.009 -2.584) 10.347 12.712 ( 0.452 10.009 -2.584) 10.347 13.942 ( 0.533 -2.166 -2.288) 3.195 13.942 ( 0.533 2.166 -2.288) 3.195 14.247 ( -0.683 -2.268 2.426) 3.390 14.247 ( -0.683 2.268 2.426) 3.390 ======================= Grid point 183 (93/216) ======================= q-point: (-0.40 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.581 ( 4.542 -7.580 -8.129) 12.007 2.581 ( 4.542 7.580 -8.129) 12.007 3.604 ( -4.009 -13.374 -3.345) 14.357 3.604 ( -4.009 13.374 -3.345) 14.357 4.168 ( -0.455 -4.948 -8.790) 10.097 4.168 ( -0.455 4.948 -8.790) 10.097 4.325 ( 1.213 -6.467 -1.627) 6.778 4.325 ( 1.213 6.467 -1.627) 6.778 5.112 ( 15.597 -13.840 -7.948) 22.316 5.112 ( 15.597 13.840 -7.948) 22.316 5.984 ( -6.878 -7.380 26.323) 28.190 5.984 ( -6.878 7.380 26.323) 28.190 6.103 ( 2.484 -5.855 8.712) 10.786 6.103 ( 2.484 5.855 8.712) 10.786 8.091 ( -7.635 -6.772 -8.660) 13.385 8.091 ( -7.635 6.772 -8.660) 13.385 9.726 ( 6.007 -11.419 -5.502) 14.027 9.726 ( 6.007 11.419 -5.502) 14.027 10.518 ( -6.168 -6.762 0.970) 9.204 10.518 ( -6.168 6.762 0.970) 9.204 12.184 ( 0.247 -7.287 2.580) 7.734 12.184 ( 0.247 7.287 2.580) 7.734 12.488 ( -0.920 -4.801 0.281) 4.897 12.488 ( -0.920 4.801 0.281) 4.897 12.705 ( -0.360 -10.010 -2.504) 10.324 12.705 ( -0.360 10.010 -2.504) 10.324 13.940 ( -0.075 -2.326 -2.296) 3.269 13.940 ( -0.075 2.326 -2.296) 3.269 14.246 ( -0.084 -2.217 2.305) 3.199 14.246 ( -0.084 2.217 2.305) 3.199 ======================= Grid point 185 (94/216) ======================= q-point: (-0.30 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.718 ( 11.149 -10.546 -5.917) 16.448 2.718 ( 11.149 10.546 -5.917) 16.448 3.550 ( -0.663 -11.154 -1.112) 11.228 3.550 ( -0.663 11.154 -1.112) 11.228 4.085 ( -6.391 -9.018 -3.475) 11.586 4.085 ( -6.391 9.018 -3.475) 11.586 4.340 ( 1.292 -4.603 -3.427) 5.882 4.340 ( 1.292 4.603 -3.427) 5.882 5.320 ( 8.316 -3.332 -10.759) 14.000 5.320 ( 8.316 3.332 -10.759) 14.000 5.922 ( -5.709 -9.056 22.870) 25.251 5.922 ( -5.709 9.056 22.870) 25.251 6.316 ( 14.501 -14.354 8.884) 22.254 6.316 ( 14.501 14.354 8.884) 22.254 7.912 ( -6.485 -10.352 -12.198) 17.263 7.912 ( -6.485 10.352 -12.198) 17.263 9.822 ( 4.894 -10.152 -4.204) 12.029 9.822 ( 4.894 10.152 -4.204) 12.029 10.344 ( -11.963 -9.091 3.242) 15.371 10.344 ( -11.963 9.091 3.242) 15.371 12.202 ( 0.729 -7.882 2.787) 8.392 12.202 ( 0.729 7.882 2.787) 8.392 12.464 ( -1.589 -3.923 0.271) 4.241 12.464 ( -1.589 3.923 0.271) 4.241 12.684 ( -1.018 -10.027 -2.391) 10.358 12.684 ( -1.018 10.027 -2.391) 10.358 13.927 ( -0.460 -2.200 -2.377) 3.271 13.927 ( -0.460 2.200 -2.377) 3.271 14.256 ( 0.406 -2.189 2.232) 3.152 14.256 ( 0.406 2.189 2.232) 3.152 ======================= Grid point 187 (95/216) ======================= q-point: (-0.20 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.955 ( 13.456 -12.900 -0.400) 18.645 2.955 ( 13.456 12.900 -0.400) 18.645 3.564 ( 1.991 -7.920 -0.990) 8.226 3.564 ( 1.991 7.920 -0.990) 8.226 3.905 ( -10.935 -13.792 -0.487) 17.607 3.905 ( -10.935 13.792 -0.487) 17.607 4.360 ( 1.710 -5.249 -3.990) 6.811 4.360 ( 1.710 5.249 -3.990) 6.811 5.398 ( 3.780 -9.549 -10.064) 14.379 5.398 ( 3.780 9.549 -10.064) 14.379 5.892 ( -3.985 -11.775 17.158) 21.188 5.892 ( -3.985 11.775 17.158) 21.188 6.643 ( 14.443 -15.590 7.701) 22.604 6.643 ( 14.443 15.590 7.701) 22.604 7.814 ( 1.713 -13.420 -13.584) 19.172 7.814 ( 1.713 13.420 -13.584) 19.172 9.855 ( -1.985 -10.210 -7.692) 12.937 9.855 ( -1.985 10.210 -7.692) 12.937 10.111 ( -11.229 -9.574 9.356) 17.473 10.111 ( -11.229 9.574 9.356) 17.473 12.229 ( 1.139 -8.081 2.695) 8.595 12.229 ( 1.139 8.081 2.695) 8.595 12.428 ( -2.125 -2.760 0.223) 3.490 12.428 ( -2.125 2.760 0.223) 3.490 12.656 ( -1.013 -10.036 -1.990) 10.282 12.656 ( -1.013 10.036 -1.990) 10.282 13.910 ( -0.451 -1.911 -2.464) 3.151 13.910 ( -0.451 1.911 -2.464) 3.151 14.273 ( 0.542 -2.150 2.205) 3.127 14.273 ( 0.542 2.150 2.205) 3.127 ======================= Grid point 189 (96/216) ======================= q-point: (-0.10 -0.50 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.204 ( 10.112 -14.884 4.814) 18.627 3.204 ( 10.112 14.884 4.814) 18.627 3.592 ( 0.018 -0.766 -2.660) 2.768 3.592 ( 0.018 0.766 -2.660) 2.768 3.701 ( -7.576 -14.479 -0.087) 16.341 3.701 ( -7.576 14.479 -0.087) 16.341 4.376 ( 0.801 -5.504 -2.337) 6.033 4.376 ( 0.801 5.504 -2.337) 6.033 5.430 ( 2.494 -9.702 -8.833) 13.355 5.430 ( 2.494 9.702 -8.833) 13.355 5.851 ( -4.565 -17.124 10.611) 20.656 5.851 ( -4.565 17.124 10.611) 20.656 6.873 ( 7.001 -13.914 7.085) 17.111 6.873 ( 7.001 13.914 7.085) 17.111 7.924 ( 12.516 -15.587 -11.936) 23.283 7.924 ( 12.516 15.587 -11.936) 23.283 9.645 ( -14.108 -13.795 -5.770) 20.558 9.645 ( -14.108 13.795 -5.770) 20.558 10.040 ( -1.232 -5.826 8.600) 10.460 10.040 ( -1.232 5.826 8.600) 10.460 12.257 ( 0.861 -8.019 2.200) 8.360 12.257 ( 0.861 8.019 2.200) 8.360 12.387 ( -1.880 -2.281 0.073) 2.957 12.387 ( -1.880 2.281 0.073) 2.957 12.638 ( -0.331 -9.889 -1.203) 9.967 12.638 ( -0.331 9.889 -1.203) 9.967 13.897 ( -0.139 -1.595 -2.510) 2.978 13.897 ( -0.139 1.595 -2.510) 2.978 14.288 ( 0.307 -2.095 2.217) 3.066 14.288 ( 0.307 2.095 2.217) 3.066 ======================= Grid point 231 (97/216) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.350 ( 10.798 0.000 32.975) 34.698 1.572 ( 0.197 0.000 35.846) 35.846 2.632 ( -13.291 0.000 60.246) 61.695 3.227 ( 2.163 0.000 -19.173) 19.294 3.545 ( 2.180 0.000 -12.168) 12.362 4.247 ( -9.646 0.000 -3.016) 10.107 4.277 ( 8.409 0.000 -5.788) 10.209 4.950 ( -8.469 0.000 11.718) 14.458 5.055 ( 0.984 0.000 2.505) 2.692 5.092 ( -11.914 0.000 9.333) 15.135 5.670 ( 6.225 0.000 -6.461) 8.972 6.024 ( 9.636 0.000 -14.341) 17.277 6.665 ( 8.780 0.000 -17.717) 19.773 7.244 ( 6.726 0.000 -15.076) 16.509 7.511 ( 11.288 0.000 -0.920) 11.325 7.943 ( -3.791 0.000 -8.889) 9.664 9.474 ( -10.503 0.000 10.913) 15.146 9.820 ( 5.144 0.000 -1.397) 5.330 10.003 ( -3.523 0.000 17.400) 17.753 10.770 ( -1.181 0.000 -8.736) 8.816 11.783 ( 1.505 0.000 3.332) 3.656 11.985 ( -0.609 0.000 -3.459) 3.512 12.405 ( -0.424 0.000 3.072) 3.101 12.546 ( -1.302 0.000 -0.662) 1.460 13.198 ( 1.196 0.000 2.445) 2.721 13.388 ( -3.127 0.000 -3.131) 4.425 13.765 ( -0.255 0.000 1.402) 1.425 13.883 ( -0.782 0.000 -1.826) 1.987 14.186 ( -1.203 0.000 2.743) 2.995 14.305 ( 1.976 0.000 -1.115) 2.269 ======================= Grid point 232 (98/216) ======================= q-point: ( 0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.747 ( 17.023 0.000 27.701) 32.513 1.834 ( 14.963 0.000 29.207) 32.817 2.708 ( 5.347 0.000 45.258) 45.572 3.186 ( -0.797 0.000 -19.021) 19.038 3.621 ( 7.510 0.000 -5.791) 9.483 4.064 ( -7.433 0.000 -3.506) 8.218 4.470 ( 11.909 0.000 -3.525) 12.420 4.810 ( -7.588 0.000 5.084) 9.134 4.865 ( -12.619 0.000 6.766) 14.318 5.037 ( -2.964 0.000 7.808) 8.352 5.879 ( 14.229 0.000 -3.949) 14.766 6.272 ( 17.959 0.000 -17.944) 25.387 6.810 ( 11.939 0.000 -18.232) 21.793 7.284 ( 1.097 0.000 -9.879) 9.940 7.768 ( 14.698 0.000 -6.436) 16.045 7.798 ( -7.801 0.000 -11.624) 13.999 9.329 ( -8.008 0.000 12.589) 14.920 9.842 ( -4.897 0.000 5.099) 7.070 10.031 ( 2.952 0.000 12.454) 12.799 10.636 ( -9.020 0.000 -9.082) 12.800 11.819 ( 1.063 0.000 3.311) 3.477 11.940 ( -2.788 0.000 -3.724) 4.652 12.404 ( -0.712 0.000 3.403) 3.477 12.516 ( -1.446 0.000 -0.777) 1.642 13.202 ( -1.645 0.000 2.915) 3.347 13.270 ( -7.149 0.000 -1.412) 7.287 13.766 ( -0.137 0.000 1.993) 1.998 13.871 ( 0.182 0.000 -1.994) 2.003 14.168 ( -1.442 0.000 2.114) 2.559 14.345 ( 2.335 0.000 -1.023) 2.549 ======================= Grid point 233 (99/216) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.112 ( 12.671 0.000 25.821) 28.763 2.250 ( 18.539 0.000 17.901) 25.771 3.070 ( 19.828 0.000 17.141) 26.210 3.103 ( -1.405 0.000 -13.411) 13.484 3.780 ( 8.169 0.000 5.753) 9.991 3.948 ( -3.714 0.000 -2.310) 4.373 4.570 ( -7.008 0.000 4.650) 8.411 4.689 ( -6.197 0.000 4.396) 7.598 4.797 ( 9.982 0.000 0.826) 10.016 5.024 ( -1.047 0.000 10.617) 10.668 6.131 ( 12.138 0.000 -5.551) 13.347 6.514 ( 10.820 0.000 -22.423) 24.897 7.033 ( 16.208 0.000 -16.670) 23.250 7.256 ( -0.117 0.000 -6.366) 6.367 7.582 ( -10.451 0.000 -11.715) 15.699 8.004 ( 10.634 0.000 -6.456) 12.440 9.223 ( -6.535 0.000 10.650) 12.495 9.699 ( -11.583 0.000 13.321) 17.653 10.143 ( 5.140 0.000 2.464) 5.700 10.405 ( -10.944 0.000 -8.761) 14.019 11.841 ( 0.317 0.000 2.645) 2.664 11.863 ( -3.838 0.000 -3.165) 4.975 12.398 ( -0.924 0.000 3.425) 3.547 12.488 ( -1.033 0.000 -0.880) 1.357 13.131 ( -6.399 0.000 -0.593) 6.426 13.155 ( -3.825 0.000 2.545) 4.594 13.771 ( -0.012 0.000 2.287) 2.287 13.878 ( 1.088 0.000 -1.936) 2.221 14.143 ( -1.723 0.000 2.004) 2.643 14.385 ( 1.997 0.000 -1.525) 2.512 ======================= Grid point 234 (100/216) ======================= q-point: ( 0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.427 ( 13.164 0.000 20.337) 24.226 2.584 ( 11.518 0.000 0.801) 11.546 3.132 ( 7.251 0.000 5.174) 8.908 3.473 ( 16.700 0.000 -3.200) 17.003 3.882 ( -3.120 0.000 -3.305) 4.545 3.918 ( 1.431 0.000 12.915) 12.994 4.474 ( -1.097 0.000 8.818) 8.886 4.601 ( -4.318 0.000 6.318) 7.653 5.045 ( 12.571 0.000 1.999) 12.729 5.052 ( 0.264 0.000 12.269) 12.272 6.306 ( 8.228 0.000 -9.322) 12.434 6.526 ( -1.456 0.000 -23.629) 23.674 7.266 ( 2.083 0.000 -6.703) 7.020 7.280 ( 2.484 0.000 -22.863) 22.998 7.381 ( 3.764 0.000 0.318) 3.777 8.119 ( 2.181 0.000 -2.568) 3.369 9.151 ( -3.100 0.000 9.036) 9.553 9.496 ( -12.840 0.000 15.017) 19.758 10.190 ( -7.589 0.000 -10.084) 12.621 10.223 ( 2.923 0.000 -3.886) 4.863 11.785 ( -3.117 0.000 -1.827) 3.614 11.846 ( -0.541 0.000 1.683) 1.768 12.389 ( -0.944 0.000 3.114) 3.254 12.473 ( -0.223 0.000 -0.849) 0.878 13.024 ( -4.351 0.000 -0.255) 4.358 13.080 ( -4.169 0.000 1.730) 4.514 13.778 ( -0.069 0.000 2.568) 2.569 13.897 ( 1.309 0.000 -1.776) 2.206 14.118 ( -1.334 0.000 2.375) 2.724 14.410 ( 1.137 0.000 -2.435) 2.687 ======================= Grid point 235 (101/216) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.746 ( 7.527 0.000 -3.318) 8.226 2.754 ( 15.326 0.000 12.605) 19.844 3.368 ( 10.519 0.000 15.767) 18.954 3.562 ( -8.266 0.000 -1.316) 8.370 3.788 ( -4.551 0.000 -5.340) 7.016 3.996 ( 6.623 0.000 7.002) 9.639 4.557 ( -2.698 0.000 7.872) 8.321 4.558 ( 3.589 0.000 7.038) 7.900 5.104 ( 1.299 0.000 13.092) 13.156 5.260 ( 7.564 0.000 5.595) 9.408 6.400 ( -2.521 0.000 -21.839) 21.984 6.403 ( 4.680 0.000 -9.993) 11.035 7.066 ( -9.234 0.000 -17.794) 20.047 7.234 ( -3.317 0.000 -10.914) 11.407 7.634 ( 12.488 0.000 0.584) 12.502 8.074 ( -6.347 0.000 1.322) 6.483 9.176 ( 2.914 0.000 9.308) 9.754 9.316 ( -9.357 0.000 14.275) 17.068 10.073 ( -0.658 0.000 -11.797) 11.816 10.231 ( 0.069 0.000 -9.585) 9.585 11.740 ( -0.971 0.000 -0.171) 0.985 11.831 ( -1.301 0.000 0.706) 1.481 12.381 ( -0.708 0.000 2.547) 2.644 12.476 ( 0.712 0.000 -0.695) 0.995 12.964 ( -1.647 0.000 0.231) 1.663 13.013 ( -2.938 0.000 0.906) 3.074 13.783 ( -0.258 0.000 2.660) 2.672 13.916 ( 1.067 0.000 -1.615) 1.935 14.109 ( -0.363 0.000 3.129) 3.150 14.413 ( 0.030 0.000 -3.457) 3.457 ======================= Grid point 236 (102/216) ======================= q-point: (-0.50 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( 2.490 0.000 4.911) 5.506 3.051 ( 6.533 0.000 -0.182) 6.536 3.306 ( -10.485 0.000 9.590) 14.210 3.489 ( -1.374 0.000 -2.325) 2.701 3.787 ( 5.761 0.000 11.058) 12.469 4.140 ( 3.837 0.000 7.439) 8.370 4.525 ( -2.735 0.000 5.950) 6.548 4.551 ( -6.242 0.000 -0.099) 6.242 5.180 ( 2.101 0.000 14.416) 14.568 5.345 ( -1.288 0.000 7.941) 8.044 6.341 ( 2.538 0.000 -18.885) 19.055 6.425 ( 0.190 0.000 -8.854) 8.856 6.860 ( -6.094 0.000 -18.673) 19.643 7.111 ( -3.453 0.000 -15.001) 15.393 7.816 ( 5.153 0.000 5.107) 7.255 7.889 ( -12.842 0.000 2.269) 13.041 9.240 ( -2.208 0.000 12.770) 12.959 9.306 ( 6.931 0.000 9.636) 11.870 10.097 ( 6.246 0.000 -11.121) 12.755 10.180 ( -1.291 0.000 -13.796) 13.856 11.747 ( 1.402 0.000 0.950) 1.694 11.801 ( -1.770 0.000 -0.054) 1.771 12.377 ( -0.311 0.000 1.941) 1.965 12.495 ( 1.445 0.000 -0.537) 1.542 12.963 ( 1.395 0.000 0.686) 1.554 12.976 ( -0.924 0.000 0.268) 0.962 13.784 ( -0.445 0.000 2.470) 2.510 13.928 ( 0.714 0.000 -1.446) 1.612 14.123 ( 0.610 0.000 3.953) 4.000 14.392 ( -0.991 0.000 -4.250) 4.364 ======================= Grid point 237 (103/216) ======================= q-point: (-0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.740 ( -25.329 0.000 -0.956) 25.347 2.779 ( -14.314 0.000 12.786) 19.194 3.451 ( 0.838 0.000 -14.931) 14.954 3.501 ( 15.052 0.000 6.695) 16.474 3.978 ( 8.304 0.000 18.984) 20.720 4.137 ( -8.594 0.000 15.283) 17.534 4.325 ( -15.259 0.000 -3.115) 15.574 4.509 ( 0.076 0.000 5.064) 5.064 5.257 ( 0.815 0.000 15.598) 15.619 5.289 ( -4.760 0.000 6.299) 7.895 6.346 ( 2.348 0.000 -17.051) 17.212 6.356 ( -4.165 0.000 -10.540) 11.333 6.710 ( -4.190 0.000 -17.705) 18.194 7.066 ( 3.911 0.000 -18.371) 18.783 7.614 ( -14.909 0.000 2.087) 15.054 7.885 ( 1.065 0.000 6.803) 6.886 9.298 ( 3.781 0.000 12.097) 12.674 9.478 ( 7.512 0.000 8.137) 11.075 10.112 ( -1.095 0.000 -14.879) 14.919 10.231 ( 9.827 0.000 -7.689) 12.477 11.765 ( -1.755 0.000 -0.355) 1.790 11.795 ( 3.126 0.000 1.040) 3.294 12.380 ( 0.030 0.000 1.564) 1.564 12.525 ( 1.691 0.000 -0.477) 1.757 12.979 ( 1.148 0.000 -0.089) 1.151 13.021 ( 4.237 0.000 0.959) 4.344 13.781 ( -0.523 0.000 2.064) 2.129 13.935 ( 0.378 0.000 -1.266) 1.321 14.152 ( 1.016 0.000 4.445) 4.560 14.353 ( -1.557 0.000 -4.518) 4.779 ======================= Grid point 238 (104/216) ======================= q-point: (-0.30 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.203 ( -29.143 0.000 2.011) 29.212 2.438 ( -23.876 0.000 17.995) 29.898 3.385 ( -2.695 0.000 -17.069) 17.281 3.698 ( -11.266 0.000 20.441) 23.340 3.926 ( -5.520 0.000 14.013) 15.061 4.042 ( -9.887 0.000 -10.870) 14.694 4.237 ( 12.964 0.000 15.444) 20.164 4.545 ( 0.781 0.000 6.274) 6.323 5.244 ( -1.633 0.000 5.739) 5.966 5.292 ( -2.148 0.000 15.122) 15.274 6.200 ( -9.017 0.000 -9.443) 13.056 6.315 ( -0.673 0.000 -16.447) 16.461 6.590 ( -1.932 0.000 -19.911) 20.005 7.088 ( 2.072 0.000 -21.759) 21.857 7.390 ( -6.438 0.000 1.907) 6.715 7.926 ( 1.546 0.000 5.524) 5.736 9.434 ( 6.045 0.000 11.318) 12.831 9.629 ( 5.372 0.000 6.121) 8.143 10.056 ( -0.556 0.000 -11.444) 11.457 10.412 ( 10.028 0.000 -4.161) 10.857 11.736 ( -1.111 0.000 0.053) 1.113 11.867 ( 3.834 0.000 0.206) 3.839 12.387 ( 0.171 0.000 1.582) 1.591 12.554 ( 1.314 0.000 -0.514) 1.411 13.018 ( 2.739 0.000 -0.068) 2.739 13.129 ( 6.280 0.000 1.067) 6.370 13.776 ( -0.530 0.000 1.505) 1.595 13.935 ( -0.019 0.000 -1.164) 1.164 14.183 ( 0.717 0.000 4.427) 4.485 14.310 ( -1.359 0.000 -4.086) 4.306 ======================= Grid point 239 (105/216) ======================= q-point: (-0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.653 ( -27.707 0.000 10.018) 29.462 2.005 ( -25.786 0.000 25.135) 36.009 3.269 ( -32.261 0.000 48.120) 57.934 3.285 ( -1.336 0.000 -18.156) 18.205 3.798 ( -8.294 0.000 -15.358) 17.455 4.076 ( 7.646 0.000 -3.742) 8.513 4.521 ( 2.061 0.000 7.122) 7.415 4.572 ( 9.183 0.000 9.554) 13.252 5.247 ( -0.679 0.000 8.304) 8.331 5.254 ( -5.828 0.000 11.075) 12.514 5.958 ( -12.493 0.000 -6.341) 14.010 6.205 ( -6.303 0.000 -13.912) 15.273 6.537 ( 2.913 0.000 -21.719) 21.913 7.046 ( 3.680 0.000 -23.813) 24.096 7.362 ( 0.728 0.000 -0.149) 0.743 7.975 ( 1.990 0.000 1.790) 2.677 9.583 ( 5.909 0.000 8.510) 10.360 9.703 ( -0.039 0.000 4.584) 4.584 10.025 ( -0.429 0.000 -3.257) 3.285 10.587 ( 8.872 0.000 -2.574) 9.238 11.727 ( 0.078 0.000 1.224) 1.227 11.938 ( 3.342 0.000 -1.131) 3.528 12.395 ( 0.113 0.000 1.960) 1.963 12.570 ( 0.431 0.000 -0.574) 0.718 13.080 ( 3.473 0.000 0.439) 3.501 13.263 ( 6.911 0.000 0.690) 6.946 13.770 ( -0.430 0.000 0.944) 1.037 13.926 ( -0.552 0.000 -1.266) 1.381 14.202 ( -0.130 0.000 3.950) 3.953 14.281 ( -0.372 0.000 -3.036) 3.058 ======================= Grid point 240 (106/216) ======================= q-point: (-0.10 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.274 ( -13.517 0.000 26.322) 29.590 1.647 ( -17.788 0.000 33.222) 37.684 2.846 ( -26.172 0.000 59.133) 64.666 3.237 ( 1.873 0.000 -18.753) 18.846 3.619 ( -4.845 0.000 -15.816) 16.542 4.175 ( 4.950 0.000 -7.080) 8.639 4.428 ( -7.960 0.000 0.778) 7.998 4.861 ( 11.465 0.000 12.379) 16.873 5.134 ( -8.266 0.000 4.388) 9.358 5.232 ( -4.960 0.000 10.862) 11.941 5.722 ( -8.259 0.000 -6.566) 10.550 6.030 ( -4.869 0.000 -14.357) 15.160 6.570 ( 6.423 0.000 -19.097) 20.148 7.124 ( 10.358 0.000 -23.722) 25.885 7.383 ( 1.881 0.000 3.109) 3.634 7.996 ( 0.078 0.000 -3.770) 3.771 9.641 ( -7.731 0.000 5.815) 9.674 9.711 ( 5.438 0.000 3.809) 6.639 10.015 ( -1.454 0.000 7.570) 7.708 10.731 ( 6.379 0.000 -4.702) 7.924 11.746 ( 1.217 0.000 2.581) 2.853 11.983 ( 1.712 0.000 -2.493) 3.025 12.402 ( -0.111 0.000 2.524) 2.527 12.567 ( -0.590 0.000 -0.611) 0.849 13.148 ( 3.046 0.000 1.405) 3.355 13.380 ( 4.333 0.000 -1.431) 4.563 13.766 ( -0.178 0.000 0.759) 0.779 13.907 ( -0.981 0.000 -1.536) 1.823 14.201 ( -1.078 0.000 3.325) 3.495 14.280 ( 0.953 0.000 -1.855) 2.085 ======================= Grid point 241 (107/216) ======================= q-point: ( 0.00 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.447 ( -0.635 11.361 30.583) 32.632 1.747 ( 4.755 16.731 31.661) 36.124 2.834 ( -9.439 16.547 36.883) 41.512 3.353 ( 1.703 11.479 -12.635) 17.155 3.543 ( 0.051 2.250 -5.276) 5.736 4.218 ( -2.482 -1.984 -3.126) 4.458 4.313 ( 1.526 1.792 -6.817) 7.212 4.776 ( -6.874 -11.828 14.168) 19.695 5.008 ( -4.734 -2.218 1.303) 5.388 5.288 ( 5.273 5.922 5.948) 9.912 5.590 ( -2.590 -0.492 -0.788) 2.751 6.107 ( 6.539 4.595 -16.995) 18.780 6.714 ( 9.496 5.357 -18.388) 21.378 7.294 ( 4.792 5.188 -10.770) 12.879 7.533 ( 14.534 1.108 -3.405) 14.968 7.872 ( -5.986 -5.679 -6.524) 10.519 9.459 ( -8.876 -2.186 9.588) 13.247 9.854 ( 5.051 2.314 -3.715) 6.684 9.993 ( -3.785 -0.685 16.756) 17.192 10.649 ( -2.252 -10.153 -4.717) 11.419 11.817 ( 1.354 3.321 3.259) 4.846 12.014 ( -0.384 2.869 -3.229) 4.337 12.399 ( -0.352 -0.588 2.881) 2.961 12.532 ( -1.393 -1.339 -0.606) 2.025 13.128 ( 0.700 -6.602 2.627) 7.140 13.306 ( -2.201 -6.912 -1.309) 7.371 13.771 ( 0.352 0.594 0.757) 1.025 13.900 ( -0.478 0.695 -3.401) 3.504 14.198 ( -1.368 1.264 3.018) 3.546 14.322 ( 1.544 1.459 -0.845) 2.286 ======================= Grid point 242 (108/216) ======================= q-point: ( 0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.665 ( 13.420 -1.458 27.677) 30.794 1.973 ( 7.016 12.135 32.248) 35.163 2.883 ( 4.806 12.386 12.031) 17.923 3.328 ( 0.753 9.314 -12.294) 15.442 3.608 ( 5.470 5.771 9.930) 12.721 4.094 ( -5.702 2.259 -3.586) 7.104 4.442 ( 9.812 -2.569 -4.070) 10.928 4.670 ( -7.047 -9.169 8.545) 14.379 4.895 ( -7.184 0.910 3.258) 7.941 5.292 ( -3.875 20.851 9.105) 23.080 5.702 ( 12.506 -14.570 -3.251) 19.474 6.244 ( 10.393 -5.787 -20.743) 23.912 6.882 ( 12.735 6.765 -17.140) 22.400 7.357 ( 3.556 7.206 -5.699) 9.852 7.711 ( -6.817 -6.412 -11.017) 14.456 7.820 ( 15.473 3.651 -6.746) 17.270 9.309 ( -9.459 -2.333 11.648) 15.185 9.837 ( -6.148 -0.734 5.399) 8.215 10.044 ( 3.583 0.733 8.959) 9.676 10.538 ( -6.840 -8.213 -5.776) 12.149 11.842 ( 0.009 2.268 2.772) 3.582 11.983 ( -1.603 4.188 -3.006) 5.399 12.399 ( -0.577 -0.456 3.191) 3.274 12.502 ( -1.435 -1.375 -0.664) 2.096 13.130 ( -1.384 -6.695 2.948) 7.445 13.224 ( -5.181 -4.264 -1.207) 6.818 13.780 ( 0.224 1.137 1.222) 1.684 13.883 ( -0.105 0.652 -3.015) 3.087 14.179 ( -1.484 1.136 2.558) 3.168 14.353 ( 1.755 0.661 -0.761) 2.024 ======================= Grid point 243 (109/216) ======================= q-point: ( 0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.080 ( 20.423 -9.873 18.967) 29.569 2.206 ( 8.263 7.265 28.281) 30.346 2.963 ( 2.225 0.459 -13.613) 13.802 3.361 ( 6.228 4.438 -7.212) 10.512 3.797 ( 6.789 9.818 21.688) 24.756 4.020 ( -0.189 7.276 -1.286) 7.392 4.508 ( -6.530 -5.522 4.219) 9.536 4.633 ( 1.287 -4.186 4.274) 6.120 4.824 ( 3.403 1.590 1.945) 4.230 5.280 ( -0.562 21.924 10.426) 24.283 5.947 ( 11.946 -16.570 -4.267) 20.869 6.343 ( 7.266 -15.163 -23.865) 29.193 7.053 ( 7.856 3.132 -19.465) 21.223 7.330 ( -6.212 -2.741 3.042) 7.440 7.645 ( 5.864 12.816 -14.277) 20.061 8.062 ( 10.641 4.717 -7.426) 13.807 9.165 ( -8.548 -5.561 11.558) 15.414 9.698 ( -10.122 0.252 12.125) 15.797 10.107 ( 0.731 -4.527 -2.599) 5.270 10.396 ( -4.794 0.138 -3.751) 6.089 11.826 ( -2.073 0.551 0.689) 2.253 11.946 ( -1.347 6.166 -1.123) 6.411 12.395 ( -0.754 -0.277 3.124) 3.226 12.476 ( -0.938 -1.160 -0.570) 1.597 13.094 ( -3.025 -5.421 2.393) 6.653 13.117 ( -5.111 -1.884 -0.838) 5.511 13.785 ( -0.140 1.173 1.677) 2.052 13.883 ( 0.914 0.250 -2.551) 2.721 14.155 ( -1.618 1.268 2.383) 3.147 14.383 ( 1.530 -0.182 -1.179) 1.940 ======================= Grid point 244 (110/216) ======================= q-point: ( 0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.461 ( 11.463 -1.502 22.408) 25.215 2.515 ( 17.099 -2.213 5.447) 18.081 2.968 ( 4.574 -6.815 -7.263) 10.960 3.486 ( 7.060 -6.483 -5.356) 10.980 3.889 ( -0.130 1.398 8.240) 8.359 4.056 ( -1.875 15.106 4.382) 15.840 4.409 ( -3.405 -6.082 6.937) 9.834 4.634 ( 0.187 2.947 8.028) 8.554 5.012 ( 10.938 -0.688 3.473) 11.497 5.315 ( 0.793 20.476 11.530) 23.513 6.067 ( 2.268 -18.548 -12.618) 22.548 6.461 ( 11.994 -14.597 -15.662) 24.540 6.963 ( -9.114 -4.755 -18.140) 20.851 7.307 ( 3.422 -5.848 -1.026) 6.853 7.745 ( 4.438 23.007 -8.371) 24.882 8.165 ( 1.437 3.814 -4.314) 5.935 9.062 ( -4.812 -7.902 10.105) 13.701 9.546 ( -8.154 4.518 12.681) 15.739 10.059 ( -1.980 -7.257 -11.063) 13.378 10.344 ( -0.814 6.361 -2.809) 7.001 11.779 ( -2.322 0.735 -0.136) 2.440 11.920 ( -1.336 6.122 -0.054) 6.266 12.389 ( -0.636 0.035 2.744) 2.817 12.463 ( -0.240 -0.914 -0.345) 1.006 13.027 ( -3.639 0.091 -0.756) 3.718 13.037 ( -3.371 -4.240 1.847) 5.723 13.786 ( -0.299 0.755 2.021) 2.178 13.898 ( 1.311 0.048 -2.212) 2.572 14.133 ( -1.273 1.491 2.660) 3.304 14.402 ( 0.872 -0.747 -1.981) 2.289 ======================= Grid point 245 (111/216) ======================= q-point: ( 0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.723 ( 9.320 -2.315 3.292) 10.151 2.800 ( 13.939 4.527 7.872) 16.636 3.130 ( 8.526 -14.684 7.559) 18.586 3.542 ( -1.521 -8.033 -2.255) 8.481 3.928 ( -6.765 7.851 15.495) 18.641 3.948 ( 3.401 1.829 -9.534) 10.286 4.367 ( -4.577 -10.464 7.153) 13.477 4.685 ( 1.314 2.845 1.223) 3.364 5.191 ( 4.791 5.664 9.007) 11.669 5.391 ( 3.034 14.256 13.058) 19.570 6.023 ( -0.530 -20.296 -15.715) 25.674 6.675 ( 12.414 -9.029 -11.125) 18.958 6.725 ( -8.754 -3.161 -15.059) 17.703 7.346 ( -0.344 -1.391 -8.663) 8.781 7.724 ( -3.800 10.558 0.320) 11.226 8.103 ( -6.473 2.004 0.663) 6.809 9.041 ( -0.439 -7.532 7.999) 10.996 9.493 ( -0.636 11.873 10.922) 16.145 10.018 ( 2.102 -3.738 -13.936) 14.581 10.308 ( -1.584 6.029 -6.669) 9.129 11.749 ( -0.735 1.411 0.763) 1.764 11.890 ( -1.670 5.358 -0.354) 5.623 12.387 ( -0.374 0.598 2.273) 2.380 12.465 ( 0.581 -0.959 -0.197) 1.139 12.971 ( -2.036 -0.627 0.391) 2.166 12.986 ( -1.803 -1.523 0.390) 2.392 13.785 ( -0.404 0.313 2.183) 2.242 13.917 ( 1.158 0.060 -1.992) 2.304 14.125 ( -0.434 1.536 3.294) 3.660 14.403 ( -0.024 -0.911 -2.899) 3.039 ======================= Grid point 246 (112/216) ======================= q-point: (-0.50 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.864 ( 3.217 -0.123 4.120) 5.229 3.076 ( 4.099 2.614 -0.581) 4.896 3.201 ( 0.691 -8.624 12.790) 15.441 3.455 ( -3.421 -4.241 -2.850) 6.149 3.849 ( 0.317 5.283 6.918) 8.710 4.095 ( 6.915 -3.502 5.945) 9.769 4.259 ( -7.975 -15.039 5.678) 17.944 4.648 ( -3.869 -0.891 -7.298) 8.308 5.266 ( -0.155 7.505 13.038) 15.045 5.460 ( -0.953 10.851 13.234) 17.140 5.998 ( 2.452 -20.913 -12.989) 24.741 6.540 ( -5.221 -4.710 -16.303) 17.755 6.849 ( 7.175 3.840 -9.151) 12.246 7.197 ( -9.340 5.334 -15.686) 19.020 7.663 ( -4.695 -9.224 8.603) 13.459 7.977 ( -4.963 4.681 2.802) 7.375 9.086 ( 2.971 -6.152 6.715) 9.579 9.555 ( 2.730 14.904 9.789) 18.039 10.051 ( 4.588 -2.436 -14.460) 15.364 10.261 ( 0.423 6.116 -9.331) 11.165 11.755 ( 0.821 1.429 1.789) 2.433 11.856 ( -1.420 4.990 -1.001) 5.284 12.387 ( -0.229 0.975 1.738) 2.006 12.485 ( 1.386 -1.054 -0.078) 1.743 12.946 ( -0.685 -2.347 0.725) 2.550 12.980 ( 1.131 0.776 -0.115) 1.376 13.783 ( -0.504 0.021 2.061) 2.122 13.930 ( 0.806 0.136 -1.827) 2.002 14.136 ( 0.447 1.340 4.012) 4.253 14.385 ( -0.846 -0.665 -3.613) 3.770 ======================= Grid point 247 (113/216) ======================= q-point: (-0.40 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.749 ( -19.426 -0.735 5.459) 20.192 2.822 ( -17.988 5.528 4.330) 19.310 3.341 ( 3.251 -8.746 -5.137) 10.651 3.545 ( 12.789 2.590 1.064) 13.092 3.934 ( 2.691 -2.708 11.562) 12.176 4.134 ( -5.425 -14.100 7.095) 16.691 4.190 ( 0.448 2.922 9.765) 10.203 4.530 ( -4.992 -0.191 -6.628) 8.300 5.260 ( -4.506 1.533 15.836) 16.536 5.437 ( -4.643 11.217 9.918) 15.676 6.024 ( 3.130 -21.463 -9.675) 23.750 6.407 ( -3.650 -1.117 -16.524) 16.959 6.815 ( -8.003 7.397 -15.620) 19.046 7.055 ( 2.054 -1.778 -13.266) 13.541 7.567 ( -6.980 -4.904 7.365) 11.270 7.950 ( 0.413 6.641 3.294) 7.424 9.199 ( 6.286 -6.298 7.253) 11.480 9.629 ( 1.712 11.392 9.002) 14.620 10.061 ( 1.324 -3.201 -15.882) 16.255 10.316 ( 7.052 6.414 -6.156) 11.348 11.771 ( -0.354 1.249 1.370) 1.888 11.848 ( 1.527 4.728 -0.698) 5.017 12.388 ( -0.152 0.799 1.365) 1.589 12.515 ( 1.685 -0.971 -0.054) 1.945 12.951 ( 1.034 -2.640 0.365) 2.858 13.027 ( 3.578 0.242 0.193) 3.591 13.778 ( -0.548 -0.164 1.677) 1.772 13.937 ( 0.426 0.138 -1.711) 1.769 14.163 ( 0.870 1.057 4.445) 4.651 14.352 ( -1.243 -0.055 -3.824) 4.021 ======================= Grid point 248 (114/216) ======================= q-point: (-0.30 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.276 ( -26.918 5.286 2.914) 27.587 2.443 ( -23.737 2.982 12.950) 27.203 3.327 ( -0.717 -5.255 -13.455) 14.462 3.736 ( -3.216 2.213 13.003) 13.576 3.941 ( -1.656 1.225 14.630) 14.774 4.030 ( -6.333 -0.665 -5.755) 8.583 4.312 ( 9.926 6.023 13.040) 17.460 4.460 ( -0.321 -5.158 0.347) 5.180 5.215 ( -4.232 -3.030 14.255) 15.175 5.334 ( -8.339 2.046 7.538) 11.426 6.001 ( -5.274 -16.966 -6.613) 18.957 6.339 ( 2.481 2.656 -12.224) 12.753 6.605 ( -4.505 4.280 -26.280) 27.005 7.091 ( 3.653 -5.032 -11.299) 12.897 7.446 ( -6.785 5.207 3.246) 9.148 7.981 ( 1.304 6.418 2.432) 6.986 9.361 ( 7.455 -7.084 8.718) 13.481 9.672 ( 0.406 4.747 6.382) 7.964 10.046 ( 1.740 -1.092 -12.253) 12.424 10.451 ( 7.320 3.444 -2.833) 8.571 11.757 ( -0.821 2.186 0.565) 2.403 11.902 ( 3.510 3.538 -0.212) 4.988 12.390 ( -0.099 0.292 1.378) 1.412 12.545 ( 1.269 -0.907 -0.179) 1.570 12.986 ( 2.294 -3.160 0.370) 3.923 13.115 ( 5.138 -1.459 0.395) 5.355 13.772 ( -0.518 -0.286 1.128) 1.274 13.937 ( 0.051 0.057 -1.740) 1.742 14.192 ( 0.654 0.863 4.368) 4.500 14.319 ( -0.958 0.798 -3.339) 3.564 ======================= Grid point 249 (115/216) ======================= q-point: (-0.20 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.789 ( -23.150 12.295 9.639) 27.929 2.019 ( -23.370 4.234 19.860) 30.959 3.276 ( -0.458 -1.192 -14.768) 14.823 3.461 ( -24.804 16.017 39.813) 49.567 3.827 ( -8.283 4.278 -11.736) 14.988 4.087 ( 7.281 0.981 -2.805) 7.864 4.475 ( -0.541 -6.000 2.947) 6.707 4.586 ( 12.999 3.113 9.201) 16.227 5.174 ( -6.449 -7.510 10.377) 14.341 5.188 ( -5.576 -7.057 8.096) 12.101 5.821 ( -8.860 -8.366 -4.106) 12.859 6.322 ( -3.246 8.738 -17.054) 19.435 6.552 ( 6.025 2.670 -20.268) 21.312 7.121 ( 4.742 -2.009 -16.762) 17.535 7.348 ( -3.489 4.455 2.007) 6.004 8.000 ( -0.092 3.321 0.465) 3.354 9.521 ( 5.644 -8.065 8.716) 13.148 9.686 ( -0.173 1.682 4.103) 4.438 10.050 ( 0.768 0.958 -4.761) 4.917 10.570 ( 5.468 -1.212 -1.348) 5.761 11.754 ( 0.363 2.787 1.334) 3.111 11.968 ( 3.173 2.994 -1.110) 4.501 12.393 ( -0.099 -0.217 1.760) 1.776 12.560 ( 0.336 -0.983 -0.367) 1.102 13.038 ( 2.744 -4.171 0.851) 5.065 13.220 ( 5.206 -4.004 0.354) 6.577 13.766 ( -0.325 -0.255 0.623) 0.748 13.929 ( -0.236 0.072 -2.099) 2.113 14.211 ( -0.037 0.871 3.839) 3.937 14.299 ( -0.116 1.583 -2.298) 2.792 ======================= Grid point 250 (116/216) ======================= q-point: (-0.10 0.10 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( -11.447 20.252 21.020) 31.353 1.717 ( -12.746 8.751 28.878) 32.757 3.041 ( -21.979 14.316 37.920) 46.108 3.327 ( 2.336 10.729 -5.753) 12.396 3.642 ( -6.316 3.519 -13.129) 14.988 4.180 ( 4.089 0.389 -5.742) 7.060 4.417 ( -5.553 -1.725 -1.294) 5.957 4.802 ( 2.894 -6.914 13.638) 15.562 5.069 ( -3.225 -3.696 2.657) 5.579 5.172 ( 0.765 -8.213 7.533) 11.171 5.682 ( -4.966 0.226 -1.225) 5.119 6.161 ( -5.544 9.595 -17.640) 20.832 6.619 ( 6.153 4.547 -17.599) 19.190 7.216 ( 9.733 6.567 -23.100) 25.913 7.338 ( 2.622 -2.888 6.776) 7.818 7.971 ( -2.745 -1.499 -2.681) 4.120 9.569 ( -3.874 -6.767 7.004) 10.481 9.740 ( 5.040 2.845 3.828) 6.939 10.033 ( -2.456 0.628 4.134) 4.849 10.649 ( 2.854 -6.737 -2.229) 7.648 11.779 ( 1.430 3.275 2.554) 4.393 12.011 ( 1.603 2.709 -2.365) 3.937 12.396 ( -0.190 -0.535 2.338) 2.406 12.555 ( -0.707 -1.161 -0.516) 1.454 13.092 ( 2.222 -5.501 1.729) 6.180 13.302 ( 2.729 -6.668 -0.421) 7.217 13.764 ( 0.063 0.036 0.474) 0.479 13.916 ( -0.289 0.355 -2.877) 2.913 14.212 ( -0.913 1.135 3.358) 3.660 14.301 ( 0.846 1.844 -1.370) 2.448 ======================= Grid point 251 (117/216) ======================= q-point: ( 0.00 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.819 ( -7.043 25.048 18.693) 32.038 2.172 ( 3.518 24.684 23.871) 34.518 3.104 ( -3.071 8.430 -3.657) 9.688 3.543 ( -2.898 9.197 -16.858) 19.420 3.837 ( -0.334 25.337 26.625) 36.755 4.169 ( -1.081 -3.146 -2.872) 4.395 4.319 ( 0.454 -0.862 -6.284) 6.359 4.559 ( -4.297 -9.206 13.784) 17.124 4.902 ( -1.559 -9.748 7.670) 12.501 5.162 ( 9.365 -11.148 -4.590) 15.266 5.815 ( -0.787 14.222 3.337) 14.629 6.141 ( -5.711 1.228 -15.136) 16.224 6.892 ( 12.304 12.428 -18.760) 25.648 7.392 ( 5.808 -4.292 -7.817) 10.642 7.477 ( 10.569 -0.833 9.034) 13.929 7.852 ( -3.882 6.047 -13.646) 15.422 9.360 ( -5.754 -8.002 8.187) 12.812 9.857 ( 0.934 -3.131 -8.330) 8.948 10.002 ( -0.714 2.116 15.524) 15.684 10.449 ( -4.080 -8.792 -0.191) 9.694 11.905 ( 0.664 5.353 3.208) 6.275 12.097 ( 0.535 5.458 -2.648) 6.090 12.385 ( -0.236 -0.656 2.458) 2.555 12.495 ( -1.550 -2.315 -0.269) 2.799 12.960 ( -0.027 -9.886 2.710) 10.251 13.150 ( -0.771 -8.541 -1.460) 8.699 13.785 ( 0.946 0.769 -0.485) 1.312 13.897 ( -0.174 -0.767 -3.920) 3.998 14.233 ( -1.309 2.092 3.402) 4.203 14.352 ( 0.794 1.344 -0.242) 1.580 ======================= Grid point 252 (118/216) ======================= q-point: ( 0.10 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.825 ( 1.693 17.775 20.969) 27.542 2.285 ( 1.563 18.601 25.561) 31.651 3.061 ( 0.057 4.845 -13.383) 14.233 3.436 ( -2.870 7.694 -14.619) 16.767 3.996 ( 6.749 25.035 27.683) 37.929 4.123 ( -1.971 0.086 -3.143) 3.711 4.371 ( 5.382 -4.437 -2.599) 7.444 4.506 ( -3.756 -5.718 9.182) 11.450 4.877 ( -3.296 -3.250 5.955) 7.542 5.357 ( 11.493 -17.265 -3.153) 20.979 5.782 ( -3.079 24.542 8.572) 26.177 6.034 ( -0.634 -13.260 -21.108) 24.936 7.052 ( 9.105 9.574 -18.280) 22.555 7.381 ( -8.377 -10.113 2.490) 13.366 7.700 ( 13.147 9.097 -1.045) 16.022 7.921 ( 14.545 6.721 -16.389) 22.920 9.218 ( -11.125 -7.047 10.228) 16.675 9.804 ( -4.037 -3.426 -0.392) 5.309 10.035 ( -1.431 -1.165 7.217) 7.450 10.391 ( -0.812 -5.332 -0.043) 5.393 11.905 ( -1.523 4.097 2.256) 4.919 12.097 ( 0.223 7.058 -2.095) 7.365 12.388 ( -0.366 -0.591 2.743) 2.830 12.466 ( -1.238 -2.088 -0.233) 2.439 12.960 ( -0.817 -10.026 2.779) 10.436 13.116 ( -2.105 -6.505 -1.804) 7.071 13.801 ( 0.715 0.900 -0.138) 1.158 13.883 ( 0.031 -0.530 -3.784) 3.821 14.214 ( -1.583 2.293 3.201) 4.244 14.367 ( 0.750 0.648 -0.127) 0.999 ======================= Grid point 253 (119/216) ======================= q-point: ( 0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.002 ( 10.216 4.806 17.260) 20.624 2.425 ( 6.238 13.850 20.827) 25.778 3.009 ( -0.965 2.664 -14.847) 15.115 3.350 ( -1.490 1.701 -11.462) 11.683 4.038 ( -4.442 8.052 5.332) 10.629 4.223 ( 5.359 6.440 11.153) 13.949 4.384 ( -3.597 -5.332 -0.778) 6.479 4.589 ( 7.557 3.170 11.892) 14.443 4.846 ( 1.286 1.104 4.689) 4.986 5.561 ( 8.662 -18.653 -1.941) 20.657 5.777 ( -0.337 25.033 10.919) 27.313 5.974 ( 1.921 -21.178 -23.446) 31.653 7.120 ( -4.358 -3.415 -15.749) 16.694 7.187 ( -1.946 -1.967 1.084) 2.971 7.984 ( 13.939 16.137 -2.487) 21.468 8.158 ( 11.906 5.273 -13.977) 19.103 9.016 ( -11.618 -8.917 10.920) 18.268 9.713 ( -5.758 0.411 5.828) 8.203 9.983 ( -3.027 -5.816 -3.785) 7.571 10.418 ( 2.348 1.385 1.145) 2.956 11.868 ( -2.472 3.578 1.069) 4.479 12.090 ( -0.616 8.053 -1.282) 8.178 12.386 ( -0.511 -0.618 2.376) 2.507 12.449 ( -0.515 -1.363 0.315) 1.490 12.945 ( -1.528 -9.065 2.548) 9.540 13.065 ( -2.346 -3.708 -2.021) 4.831 13.809 ( 0.003 1.121 0.394) 1.188 13.881 ( 0.876 -0.463 -3.469) 3.608 14.192 ( -1.554 2.386 3.069) 4.186 14.379 ( 0.558 -0.166 -0.307) 0.658 ======================= Grid point 254 (120/216) ======================= q-point: ( 0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.296 ( 14.513 -6.397 12.235) 20.031 2.655 ( 12.117 10.879 12.555) 20.562 2.949 ( -0.622 3.631 -11.079) 11.675 3.328 ( 1.535 -5.731 -4.022) 7.168 3.966 ( -3.844 5.144 3.761) 7.442 4.248 ( -4.925 -9.807 5.700) 12.366 4.296 ( -4.799 5.686 -2.035) 7.714 4.681 ( 0.012 -0.096 2.748) 2.750 5.046 ( 13.742 4.928 10.840) 18.183 5.620 ( -0.016 -12.275 -6.614) 13.943 5.805 ( -2.204 14.598 8.924) 17.251 6.034 ( 10.749 -23.762 -13.436) 29.338 6.904 ( -9.432 -5.923 0.315) 11.142 7.257 ( 5.785 2.599 -12.248) 13.793 8.128 ( -1.682 13.119 0.415) 13.232 8.235 ( -0.739 3.470 -6.008) 6.977 8.896 ( -1.848 -6.919 4.920) 8.689 9.649 ( -1.340 4.551 5.272) 7.092 9.941 ( 1.232 -3.153 -8.613) 9.254 10.453 ( 0.622 4.470 -0.749) 4.575 11.827 ( -1.824 4.068 0.987) 4.566 12.064 ( -1.586 8.136 -1.167) 8.371 12.386 ( -0.010 -0.518 1.802) 1.875 12.445 ( -0.203 -0.682 0.912) 1.157 12.918 ( -1.826 -7.383 2.180) 7.912 13.018 ( -1.724 -1.438 -2.035) 3.030 13.806 ( -0.452 1.186 0.808) 1.504 13.895 ( 1.448 -0.464 -3.132) 3.482 14.174 ( -1.233 2.469 3.189) 4.217 14.385 ( 0.210 -0.840 -0.787) 1.170 ======================= Grid point 255 (121/216) ======================= q-point: ( 0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.605 ( 13.489 -10.015 6.899) 18.162 2.942 ( 4.043 -2.671 -2.751) 5.572 2.952 ( 12.670 11.152 6.218) 17.988 3.359 ( 0.650 -7.479 3.681) 8.361 3.934 ( 1.106 0.997 -0.738) 1.662 4.113 ( -8.995 -3.038 1.471) 9.607 4.169 ( -8.165 -1.669 0.728) 8.365 4.640 ( -3.271 -6.760 -7.505) 10.617 5.310 ( 8.542 4.530 8.707) 13.011 5.600 ( 0.844 -18.685 -10.437) 21.419 5.746 ( -5.458 15.797 13.295) 21.356 6.231 ( 10.486 -20.111 -7.799) 23.984 6.815 ( 0.110 -2.187 4.701) 5.186 7.291 ( -0.153 -0.861 -9.907) 9.946 7.924 ( -15.987 6.106 1.903) 17.219 8.154 ( -6.072 4.936 2.116) 8.107 8.939 ( 3.843 -2.379 0.059) 4.520 9.697 ( 4.703 5.935 -0.957) 7.632 9.986 ( 5.426 2.845 -7.818) 9.933 10.432 ( -1.774 6.096 -3.827) 7.413 11.808 ( -0.565 4.599 1.840) 4.985 12.024 ( -1.931 7.928 -1.590) 8.314 12.398 ( 0.693 0.215 1.485) 1.653 12.445 ( -0.037 -0.755 1.057) 1.299 12.890 ( -1.523 -5.785 1.765) 6.237 12.990 ( -0.478 -0.245 -1.875) 1.950 13.798 ( -0.572 1.043 1.057) 1.592 13.914 ( 1.410 -0.353 -2.903) 3.247 14.165 ( -0.609 2.405 3.578) 4.354 14.382 ( -0.238 -1.126 -1.405) 1.816 ======================= Grid point 256 (122/216) ======================= q-point: (-0.50 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.835 ( 7.382 -5.190 1.154) 9.097 2.962 ( -2.471 -11.735 4.173) 12.698 3.190 ( 3.689 6.322 5.333) 9.056 3.392 ( 5.952 1.125 5.618) 8.262 3.930 ( -6.629 -2.571 -2.814) 7.647 4.003 ( -7.968 -5.216 0.987) 9.574 4.044 ( 7.930 -1.482 0.753) 8.102 4.536 ( -3.115 -9.129 -13.381) 16.495 5.398 ( -2.845 3.115 7.197) 8.342 5.568 ( 0.904 -20.890 -9.657) 23.032 5.725 ( -3.002 13.857 18.377) 23.211 6.358 ( 4.925 -8.972 -7.913) 12.937 6.896 ( 3.850 -2.679 2.788) 5.456 7.179 ( -7.460 -8.284 -3.844) 11.792 7.608 ( -15.234 5.616 1.832) 16.339 8.082 ( -1.092 6.458 3.460) 7.407 9.018 ( 4.272 -1.028 -0.770) 4.461 9.793 ( 5.426 5.771 -4.349) 9.036 10.057 ( 1.965 5.429 -5.775) 8.166 10.395 ( 0.888 7.094 -6.039) 9.359 11.813 ( 0.179 4.424 2.850) 5.265 11.986 ( -1.244 7.908 -2.209) 8.304 12.413 ( 0.069 1.496 1.157) 1.892 12.457 ( 1.128 -1.690 1.040) 2.283 12.873 ( -0.624 -4.928 1.388) 5.157 12.990 ( 1.040 -0.233 -1.652) 1.967 13.790 ( -0.602 0.827 1.009) 1.437 13.930 ( 1.010 -0.232 -2.753) 2.942 14.172 ( 0.103 2.122 4.078) 4.598 14.368 ( -0.590 -0.894 -1.908) 2.188 ======================= Grid point 257 (123/216) ======================= q-point: (-0.40 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.695 ( -18.464 -4.797 4.300) 19.556 2.952 ( -5.989 2.057 -1.021) 6.414 3.155 ( -1.622 -4.958 2.566) 5.814 3.613 ( 10.932 4.099 1.036) 11.721 3.875 ( 1.773 -5.603 2.071) 6.231 3.923 ( -0.522 -2.130 7.613) 7.923 4.209 ( 8.188 -0.650 -5.477) 9.872 4.486 ( 2.131 -4.728 -8.771) 10.190 5.267 ( -10.556 -3.665 8.090) 13.795 5.545 ( -8.146 -14.938 3.021) 17.281 5.715 ( 0.966 7.570 8.453) 11.388 6.388 ( 1.112 0.299 -7.326) 7.416 6.868 ( -5.186 -4.891 0.025) 7.129 7.036 ( -6.293 0.735 -14.802) 16.101 7.443 ( -2.528 -5.402 11.345) 12.818 8.115 ( 2.758 8.387 2.232) 9.107 9.106 ( 5.096 -2.264 -0.861) 5.643 9.861 ( 0.607 9.961 3.060) 10.439 10.014 ( -1.114 -0.270 -13.100) 13.150 10.448 ( 4.837 6.478 -3.656) 8.873 11.823 ( -0.219 4.007 2.856) 4.926 11.973 ( 0.835 7.760 -2.129) 8.090 12.409 ( -0.637 1.168 0.900) 1.607 12.490 ( 1.709 -1.531 0.910) 2.468 12.876 ( 0.456 -5.013 1.192) 5.173 13.019 ( 2.321 -1.354 -1.466) 3.061 13.781 ( -0.590 0.600 0.638) 1.056 13.937 ( 0.483 -0.246 -2.670) 2.725 14.191 ( 0.561 1.752 4.401) 4.770 14.350 ( -0.612 -0.183 -2.044) 2.141 ======================= Grid point 258 (124/216) ======================= q-point: (-0.30 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.313 ( -19.954 0.516 7.345) 21.269 2.668 ( -18.944 17.628 -0.028) 25.877 3.186 ( 3.179 -8.579 -5.522) 10.686 3.746 ( 1.766 -1.814 -2.341) 3.448 3.955 ( 5.577 -1.753 2.193) 6.244 4.007 ( 3.405 0.265 16.962) 17.303 4.348 ( 7.509 1.350 -12.264) 14.443 4.534 ( 3.168 8.034 4.855) 9.907 5.089 ( -9.473 -11.684 8.002) 17.038 5.272 ( -18.626 -7.899 10.183) 22.650 5.771 ( 1.053 -1.350 0.570) 1.804 6.418 ( 5.193 4.794 -3.642) 7.951 6.736 ( -5.020 6.871 -22.057) 23.642 6.913 ( -1.872 -10.109 -3.194) 10.766 7.465 ( -0.802 -4.138 9.856) 10.720 8.170 ( 1.704 9.861 -0.667) 10.030 9.208 ( 5.254 -6.124 1.239) 8.164 9.810 ( -4.970 8.731 5.353) 11.384 10.014 ( 3.802 -2.071 -12.562) 13.287 10.521 ( 2.868 3.107 -0.741) 4.293 11.823 ( -0.203 4.519 1.929) 4.918 12.004 ( 2.549 6.648 -1.270) 7.232 12.398 ( -0.715 0.464 0.968) 1.290 12.521 ( 1.099 -1.485 0.582) 1.937 12.895 ( 1.087 -5.907 1.313) 6.148 13.067 ( 2.896 -3.487 -1.321) 4.722 13.771 ( -0.432 0.441 0.092) 0.624 13.933 ( 0.042 -0.413 -2.718) 2.749 14.216 ( 0.537 1.497 4.309) 4.593 14.336 ( -0.228 0.756 -1.684) 1.859 ======================= Grid point 259 (125/216) ======================= q-point: (-0.20 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.040 ( -9.708 13.279 13.348) 21.183 2.294 ( -18.966 22.662 4.053) 29.827 3.230 ( 2.958 -3.388 -8.729) 9.820 3.686 ( -5.308 4.332 -1.504) 7.015 4.055 ( -7.004 15.836 21.351) 27.490 4.092 ( 6.329 -1.468 1.310) 6.628 4.355 ( -0.201 -2.436 -4.892) 5.469 4.664 ( 4.568 3.801 1.448) 6.116 4.916 ( -9.354 -17.695 4.916) 20.610 5.034 ( -6.027 -6.299 9.814) 13.127 5.762 ( -0.811 2.935 1.838) 3.557 6.489 ( -1.482 7.197 -15.218) 16.899 6.648 ( 6.014 6.782 -18.666) 20.751 6.928 ( 5.125 -13.024 -0.330) 14.000 7.452 ( -2.544 0.756 5.543) 6.145 8.146 ( -3.689 10.593 -4.839) 12.216 9.314 ( 4.408 -10.810 4.701) 12.585 9.764 ( -0.512 5.229 2.954) 6.028 10.040 ( 1.097 -1.516 -5.544) 5.852 10.548 ( -0.214 -1.330 0.932) 1.638 11.835 ( 0.957 5.294 1.961) 5.726 12.052 ( 2.506 5.470 -1.269) 6.149 12.388 ( -0.556 -0.168 1.341) 1.462 12.533 ( -0.000 -1.740 0.204) 1.752 12.922 ( 1.110 -7.324 1.731) 7.607 13.118 ( 2.485 -6.193 -1.180) 6.776 13.766 ( 0.008 0.461 -0.368) 0.590 13.924 ( -0.146 -0.618 -3.020) 3.086 14.235 ( 0.108 1.489 3.901) 4.177 14.332 ( 0.272 1.489 -1.030) 1.831 ======================= Grid point 260 (126/216) ======================= q-point: (-0.10 0.20 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.984 ( -13.796 26.884 11.029) 32.167 2.030 ( 1.891 23.025 19.779) 30.412 3.205 ( -4.220 3.304 -3.694) 6.509 3.605 ( -0.857 9.751 -7.232) 12.171 3.896 ( -12.014 25.597 21.330) 35.419 4.171 ( 1.892 -2.362 -2.260) 3.777 4.356 ( -0.391 -3.682 -5.120) 6.319 4.610 ( -6.311 -10.316 12.024) 17.053 4.896 ( 0.513 -17.624 6.397) 18.756 5.032 ( 3.995 -1.301 -0.455) 4.226 5.785 ( 2.136 8.481 2.005) 8.973 6.330 ( -7.581 6.956 -16.702) 19.617 6.737 ( 8.121 7.645 -16.632) 20.026 7.145 ( 15.669 -9.813 -2.498) 18.656 7.415 ( -1.829 4.140 2.708) 5.274 8.012 ( -7.294 7.304 -8.038) 13.083 9.386 ( 0.642 -11.221 6.611) 13.039 9.806 ( 3.785 2.955 -0.183) 4.806 10.019 ( -2.529 -1.482 3.059) 4.237 10.520 ( -2.871 -5.875 1.042) 6.621 11.870 ( 1.704 5.747 2.772) 6.604 12.086 ( 1.419 4.896 -2.038) 5.489 12.384 ( -0.348 -0.558 1.901) 2.012 12.522 ( -1.051 -2.111 -0.095) 2.360 12.946 ( 0.669 -8.827 2.285) 9.142 13.151 ( 1.112 -8.374 -1.186) 8.530 13.771 ( 0.603 0.623 -0.558) 1.031 13.911 ( -0.127 -0.775 -3.563) 3.648 14.242 ( -0.599 1.729 3.585) 4.025 14.339 ( 0.615 1.697 -0.537) 1.884 ======================= Grid point 261 (127/216) ======================= q-point: ( 0.00 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.372 ( -6.782 29.457 6.992) 31.025 2.674 ( -0.311 25.282 18.115) 31.103 3.217 ( -0.892 5.128 -12.719) 13.743 3.722 ( 0.744 5.763 -10.915) 12.365 4.030 ( -1.074 -8.314 1.370) 8.494 4.223 ( -3.460 1.797 -3.222) 5.057 4.383 ( -1.081 0.643 9.380) 9.464 4.554 ( -0.552 22.042 17.423) 28.102 4.610 ( 5.738 -17.552 10.579) 21.282 5.010 ( 1.413 -2.979 -4.643) 5.695 5.845 ( -3.741 -8.019 -13.306) 15.980 6.372 ( -3.896 19.245 0.946) 19.658 6.999 ( 4.769 -15.716 -6.198) 17.554 7.272 ( 10.969 11.279 -2.999) 16.017 7.525 ( 10.641 0.275 8.185) 13.428 8.054 ( -1.465 11.656 -18.367) 21.802 9.173 ( -3.468 -9.400 6.056) 11.707 9.726 ( -3.107 -9.643 -10.399) 14.518 10.063 ( 0.664 3.617 11.720) 12.283 10.319 ( -4.233 -4.526 3.299) 7.021 12.020 ( -0.397 6.201 3.215) 6.996 12.223 ( 1.633 6.921 -2.800) 7.642 12.376 ( -0.214 -0.123 2.353) 2.366 12.445 ( -1.508 -2.639 0.474) 3.077 12.756 ( -0.594 -10.320 2.710) 10.687 12.973 ( 0.245 -9.236 -2.583) 9.594 13.800 ( 0.963 0.747 -1.490) 1.925 13.878 ( -0.047 -1.024 -3.643) 3.784 14.275 ( -0.914 2.080 3.479) 4.155 14.369 ( 0.265 0.358 0.543) 0.702 ======================= Grid point 262 (128/216) ======================= q-point: ( 0.10 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.299 ( -3.645 27.925 9.175) 29.618 2.676 ( -2.915 20.260 18.467) 27.568 3.148 ( -2.146 5.934 -12.519) 14.019 3.647 ( -4.656 11.105 -12.274) 17.194 4.038 ( 1.202 -8.094 0.235) 8.187 4.198 ( 1.358 -5.866 -1.471) 6.198 4.335 ( -5.980 -0.585 7.089) 9.292 4.640 ( 2.900 15.667 13.004) 20.566 4.743 ( 4.463 -11.213 8.047) 14.505 5.104 ( 9.462 -1.100 2.899) 9.957 5.700 ( -5.968 -16.373 -19.028) 25.803 6.318 ( -3.628 25.532 9.068) 27.337 7.006 ( -1.391 -18.032 -6.054) 19.072 7.334 ( -1.900 10.356 -3.556) 11.113 7.825 ( 15.604 1.617 5.590) 16.654 8.122 ( 13.558 12.039 -21.175) 27.877 9.053 ( -10.343 -8.092 7.411) 15.079 9.664 ( -0.283 -10.259 -8.658) 13.427 10.051 ( -5.343 2.974 9.507) 11.304 10.322 ( 3.584 -2.477 3.520) 5.601 12.002 ( -2.127 5.610 2.348) 6.443 12.247 ( 1.353 7.537 -2.448) 8.039 12.378 ( -0.561 -0.292 2.623) 2.698 12.426 ( -0.462 -1.736 0.656) 1.912 12.753 ( -0.455 -10.470 2.529) 10.781 12.970 ( 0.162 -8.192 -2.745) 8.641 13.815 ( 0.953 0.541 -1.249) 1.661 13.869 ( 0.274 -0.734 -3.664) 3.746 14.262 ( -1.355 2.485 3.358) 4.392 14.374 ( 0.031 0.036 0.662) 0.664 ======================= Grid point 263 (129/216) ======================= q-point: ( 0.20 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.275 ( -1.255 21.192 7.992) 22.684 2.729 ( 3.729 16.329 14.714) 22.294 3.085 ( -0.521 6.275 -8.235) 10.366 3.486 ( -7.342 10.637 -13.060) 18.375 4.056 ( 0.549 -7.710 -2.125) 8.016 4.206 ( -8.280 -0.580 9.062) 12.289 4.248 ( 2.695 -9.855 -3.591) 10.830 4.676 ( -1.647 -0.759 3.305) 3.770 4.862 ( 6.147 -5.771 5.205) 9.909 5.356 ( 9.685 5.913 11.667) 16.275 5.531 ( -1.937 -22.041 -20.067) 29.870 6.266 ( -5.538 22.039 12.923) 26.142 6.911 ( -7.717 -10.628 3.938) 13.712 7.305 ( 3.189 7.822 -13.395) 15.836 8.120 ( 12.704 -0.519 1.629) 12.818 8.292 ( 3.752 2.561 -7.861) 9.080 8.890 ( -4.714 -0.200 -0.290) 4.727 9.646 ( 0.444 -7.134 -7.598) 10.431 9.976 ( -3.111 5.003 6.434) 8.724 10.426 ( 5.069 -0.887 2.738) 5.829 11.964 ( -2.111 5.987 1.793) 6.597 12.254 ( -0.012 8.258 -1.995) 8.495 12.369 ( -0.832 -0.943 2.077) 2.428 12.430 ( 0.389 -0.492 1.204) 1.358 12.754 ( -0.164 -9.780 2.339) 10.057 12.963 ( 0.076 -6.645 -3.058) 7.316 13.827 ( 0.547 0.744 -0.773) 1.204 13.869 ( 0.921 -0.522 -3.681) 3.830 14.244 ( -1.478 2.733 3.287) 4.523 14.374 ( -0.219 -0.387 0.672) 0.806 ======================= Grid point 264 (130/216) ======================= q-point: ( 0.30 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.311 ( 3.371 8.328 4.050) 9.855 2.897 ( 8.787 12.277 7.436) 16.830 3.082 ( 1.913 9.542 -4.063) 10.546 3.325 ( -4.404 5.883 -7.675) 10.626 4.035 ( -4.821 -10.702 1.825) 11.879 4.054 ( -6.227 2.366 1.261) 6.780 4.263 ( -0.892 -8.004 -6.108) 10.108 4.615 ( -4.960 -5.506 -0.486) 7.427 5.026 ( 9.746 -11.569 2.564) 15.343 5.299 ( -4.806 -18.512 -15.962) 24.912 5.734 ( 13.995 1.150 11.582) 18.202 6.173 ( -7.699 15.588 12.996) 21.707 6.771 ( -7.861 -4.666 10.833) 14.175 7.350 ( 3.430 4.526 -13.227) 14.395 8.152 ( -10.326 -5.469 1.079) 11.735 8.328 ( 2.632 0.837 8.504) 8.941 8.885 ( 4.176 6.735 -12.495) 14.796 9.639 ( 2.057 -5.277 -10.380) 11.825 10.009 ( 4.939 8.997 4.101) 11.052 10.512 ( 2.826 1.242 0.480) 3.124 11.936 ( -1.207 6.822 1.983) 7.207 12.234 ( -1.383 8.938 -1.899) 9.242 12.365 ( -0.001 -1.557 1.800) 2.380 12.442 ( 0.401 0.412 1.267) 1.391 12.758 ( -0.164 -8.428 2.151) 8.700 12.955 ( 0.124 -5.142 -3.298) 6.110 13.831 ( -0.015 1.274 -0.347) 1.321 13.884 ( 1.568 -0.504 -3.594) 3.953 14.226 ( -1.290 2.764 3.325) 4.512 14.370 ( -0.441 -0.797 0.518) 1.048 ======================= Grid point 265 (131/216) ======================= q-point: ( 0.40 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.428 ( 7.544 -5.269 0.278) 9.206 2.954 ( -3.154 1.206 -6.534) 7.355 3.217 ( 9.308 11.428 3.960) 15.262 3.325 ( 6.080 8.116 4.268) 11.002 3.868 ( -8.986 -8.758 4.688) 13.395 4.007 ( -0.374 0.620 -7.539) 7.574 4.177 ( -4.858 -5.037 -10.138) 12.319 4.483 ( -7.156 -7.272 -5.487) 11.585 5.198 ( -1.282 -20.014 -8.364) 21.729 5.231 ( 9.126 -13.498 -2.850) 16.541 6.005 ( 5.909 3.727 11.596) 13.537 6.085 ( -0.636 10.034 14.756) 17.855 6.692 ( -3.698 -6.604 14.310) 16.188 7.269 ( -10.281 -4.048 -3.399) 11.560 7.982 ( -6.815 3.161 1.718) 7.707 8.293 ( -6.860 6.435 5.310) 10.801 8.952 ( 6.055 3.845 -10.522) 12.735 9.675 ( 5.718 -5.947 -15.811) 17.834 10.156 ( 7.560 11.598 3.318) 14.236 10.535 ( -0.019 3.903 -2.080) 4.423 11.927 ( -0.513 7.322 2.754) 7.839 12.195 ( -1.739 9.150 -2.299) 9.593 12.383 ( 1.176 -1.619 1.866) 2.736 12.450 ( -0.023 1.124 1.013) 1.513 12.759 ( -0.371 -7.210 1.919) 7.470 12.950 ( 0.404 -4.133 -3.367) 5.346 13.826 ( -0.329 1.714 -0.123) 1.750 13.905 ( 1.617 -0.454 -3.446) 3.833 14.215 ( -0.835 2.584 3.523) 4.448 14.361 ( -0.577 -1.050 0.252) 1.224 ======================= Grid point 266 (132/216) ======================= q-point: (-0.50 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.584 ( 7.889 -14.325 -1.193) 16.397 2.827 ( -8.278 -6.519 -3.824) 11.209 3.281 ( -1.325 3.838 6.496) 7.660 3.570 ( 11.553 13.940 1.342) 18.154 3.792 ( 1.780 -2.471 5.369) 6.173 4.023 ( 2.255 -1.211 -8.000) 8.399 4.037 ( -2.363 0.544 -12.644) 12.874 4.338 ( -3.791 -8.692 -12.098) 15.371 5.150 ( -2.690 -18.992 -2.836) 19.390 5.336 ( 2.293 -10.263 -4.397) 11.399 5.998 ( -4.108 12.370 19.276) 23.269 6.276 ( 8.611 0.523 7.849) 11.663 6.726 ( 2.857 -12.173 14.117) 18.858 6.989 ( -15.988 -9.522 6.111) 19.586 7.790 ( -13.993 10.861 -3.803) 18.117 8.215 ( -1.589 5.791 4.969) 7.794 9.044 ( 6.156 3.871 -8.990) 11.563 9.765 ( 8.173 -6.058 -17.263) 20.038 10.255 ( -0.215 11.564 3.800) 12.174 10.526 ( 1.160 5.679 -3.879) 6.975 11.929 ( -0.426 7.174 3.617) 8.046 12.160 ( -0.898 9.475 -2.852) 9.936 12.417 ( 1.501 -1.976 2.235) 3.340 12.448 ( -0.309 1.792 0.390) 1.860 12.757 ( -0.379 -6.663 1.715) 6.891 12.952 ( 0.790 -3.987 -3.333) 5.257 13.817 ( -0.521 1.909 -0.181) 1.987 13.923 ( 1.155 -0.405 -3.321) 3.539 14.216 ( -0.243 2.244 3.840) 4.454 14.350 ( -0.515 -1.010 0.005) 1.134 ======================= Grid point 267 (133/216) ======================= q-point: (-0.40 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.561 ( -12.263 -8.363 1.202) 14.891 2.775 ( 7.811 -12.035 -4.583) 15.061 3.261 ( -3.588 7.326 6.644) 10.520 3.669 ( 1.747 3.101 -4.876) 6.036 3.863 ( -2.903 1.806 -3.303) 4.754 3.968 ( 5.243 6.515 5.620) 10.075 4.214 ( 15.115 2.338 -13.581) 20.454 4.318 ( 6.692 -11.848 -12.288) 18.335 5.046 ( -7.707 -13.578 0.513) 15.621 5.310 ( -4.016 -8.986 -2.531) 10.163 5.962 ( -6.209 13.948 22.219) 26.959 6.418 ( 4.322 1.659 4.745) 6.629 6.706 ( -8.756 -9.339 8.726) 15.493 6.914 ( 5.668 -13.204 7.190) 16.068 7.481 ( -13.855 8.859 -4.185) 16.969 8.217 ( -0.421 0.804 4.670) 4.757 9.138 ( 6.178 5.773 -9.796) 12.941 9.876 ( 7.710 -5.104 -15.185) 17.779 10.167 ( -8.396 11.765 3.359) 14.839 10.556 ( 1.718 4.090 -1.919) 4.833 11.931 ( -0.457 6.894 3.841) 7.905 12.148 ( 0.491 9.628 -2.870) 10.059 12.427 ( -1.005 0.015 1.284) 1.630 12.463 ( 1.494 -0.541 1.004) 1.880 12.756 ( -0.210 -6.929 1.686) 7.135 12.960 ( 1.015 -4.848 -3.271) 5.936 13.805 ( -0.590 1.869 -0.553) 2.036 13.929 ( 0.450 -0.476 -3.215) 3.281 14.228 ( 0.245 1.854 4.093) 4.500 14.342 ( -0.192 -0.640 -0.086) 0.674 ======================= Grid point 268 (134/216) ======================= q-point: (-0.30 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.361 ( -6.791 4.657 4.279) 9.280 2.925 ( 6.964 -3.044 -6.135) 9.767 3.133 ( -9.328 13.230 2.736) 16.418 3.677 ( 1.382 -3.100 -4.393) 5.551 3.870 ( 4.121 -5.269 -0.884) 6.747 4.070 ( 4.603 4.081 3.042) 6.863 4.403 ( 8.056 0.545 -9.942) 12.808 4.524 ( 11.297 -12.133 -6.036) 17.643 4.884 ( -7.330 -0.644 -0.828) 7.405 5.153 ( -11.670 -3.745 5.394) 13.391 5.911 ( -4.540 12.882 18.205) 22.759 6.498 ( 3.631 2.456 5.213) 6.811 6.644 ( -1.004 -10.970 8.367) 13.833 6.925 ( -4.302 4.742 -15.828) 17.074 7.340 ( -0.874 -5.426 8.003) 9.708 8.231 ( 0.982 -5.345 2.855) 6.139 9.210 ( 3.505 7.034 -9.415) 12.264 9.941 ( 0.521 -2.394 -12.437) 12.676 10.020 ( -4.326 9.031 4.578) 11.011 10.557 ( -1.582 0.238 0.778) 1.779 11.937 ( 0.149 7.037 3.373) 7.805 12.160 ( 1.431 8.966 -2.313) 9.370 12.407 ( -1.239 0.351 0.916) 1.580 12.489 ( 0.704 -1.634 1.105) 2.094 12.757 ( -0.208 -7.823 1.949) 8.065 12.970 ( 0.908 -6.461 -3.175) 7.256 13.793 ( -0.399 1.694 -1.056) 2.036 13.922 ( -0.125 -0.693 -3.169) 3.246 14.247 ( 0.401 1.572 4.084) 4.394 14.343 ( 0.244 -0.103 0.032) 0.267 ======================= Grid point 269 (135/216) ======================= q-point: (-0.20 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.356 ( 3.928 18.227 9.636) 20.988 2.803 ( -13.319 26.949 -1.919) 30.122 3.157 ( 7.718 -3.458 -4.252) 9.466 3.690 ( 1.582 -2.893 -7.662) 8.342 3.974 ( 5.307 -9.419 2.189) 11.030 4.186 ( 6.062 0.628 4.021) 7.302 4.467 ( -0.599 2.138 -2.404) 3.273 4.544 ( -5.634 -18.098 1.427) 19.008 4.769 ( -8.697 10.490 1.879) 13.755 5.012 ( -1.167 4.712 4.229) 6.438 5.903 ( -0.401 9.881 8.602) 13.107 6.577 ( -0.680 1.825 -4.009) 4.458 6.682 ( 4.244 -10.432 10.811) 15.611 6.826 ( 4.296 10.797 -18.721) 22.034 7.374 ( 0.260 -7.087 8.237) 10.869 8.256 ( 0.299 -3.973 -1.737) 4.347 9.209 ( -0.775 3.154 -5.694) 6.556 9.859 ( -2.631 2.795 -4.287) 5.754 10.021 ( 0.123 0.898 0.438) 1.006 10.503 ( -4.328 -3.433 3.043) 6.307 11.960 ( 1.222 7.277 3.093) 8.001 12.184 ( 1.493 7.749 -2.038) 8.150 12.387 ( -0.979 0.081 1.135) 1.501 12.494 ( -0.535 -2.188 0.858) 2.410 12.759 ( -0.334 -8.919 2.387) 9.239 12.976 ( 0.577 -8.185 -2.972) 8.727 13.786 ( 0.087 1.446 -1.432) 2.037 13.908 ( -0.333 -0.947 -3.259) 3.410 14.265 ( 0.209 1.518 3.860) 4.153 14.351 ( 0.477 0.314 0.247) 0.622 ======================= Grid point 270 (136/216) ======================= q-point: (-0.10 0.30 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.496 ( -0.342 25.946 8.849) 27.416 2.582 ( -3.414 29.512 8.222) 30.826 3.245 ( 2.330 1.788 -8.715) 9.196 3.705 ( 2.936 0.586 -9.822) 10.268 4.045 ( 0.619 -10.258 1.510) 10.387 4.308 ( 4.305 -1.293 -4.888) 6.641 4.356 ( -7.384 5.035 11.396) 14.482 4.506 ( 0.856 -15.322 4.965) 16.129 4.601 ( -8.626 16.818 15.541) 24.470 5.020 ( -0.037 0.638 -2.819) 2.890 5.913 ( -0.414 2.292 -4.106) 4.721 6.471 ( -5.324 9.148 -6.040) 12.187 6.849 ( 9.834 -8.783 -0.185) 13.187 7.004 ( 14.885 8.507 -6.040) 18.177 7.402 ( 1.274 -4.675 6.701) 8.269 8.190 ( -5.306 6.026 -9.749) 12.630 9.186 ( -0.394 -6.246 1.224) 6.377 9.810 ( -1.585 -3.300 -9.345) 10.037 10.021 ( -0.453 2.505 8.408) 8.785 10.414 ( -5.693 -5.074 3.941) 8.584 11.998 ( 1.412 7.054 3.311) 7.919 12.204 ( 1.270 6.835 -2.436) 7.366 12.377 ( -0.514 -0.133 1.656) 1.739 12.475 ( -1.515 -2.620 0.632) 3.092 12.758 ( -0.476 -9.771 2.696) 10.148 12.976 ( 0.333 -9.264 -2.702) 9.655 13.788 ( 0.637 1.112 -1.561) 2.020 13.892 ( -0.243 -1.097 -3.473) 3.650 14.276 ( -0.283 1.703 3.638) 4.027 14.361 ( 0.433 0.472 0.408) 0.759 ======================= Grid point 271 (137/216) ======================= q-point: ( 0.00 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.934 ( -5.710 26.086 1.650) 26.755 3.147 ( -4.293 21.902 11.921) 25.303 3.353 ( 1.794 9.164 -8.995) 12.965 3.693 ( 4.271 -7.738 -0.410) 8.848 3.819 ( -0.009 -12.120 1.833) 12.258 4.133 ( -1.109 -18.192 6.559) 19.370 4.297 ( -0.325 -0.134 -6.659) 6.669 4.384 ( 4.650 -2.816 0.583) 5.468 4.970 ( -7.647 10.662 -5.011) 14.045 5.159 ( 6.781 16.782 3.705) 18.476 5.697 ( -11.151 -1.333 -1.682) 11.355 6.545 ( 1.480 -25.127 3.769) 25.451 6.769 ( 0.778 18.397 5.385) 19.185 7.365 ( 6.494 -8.144 0.615) 10.434 7.674 ( 16.131 17.436 -1.462) 23.798 8.189 ( 3.464 -0.887 -9.841) 10.471 9.076 ( -5.149 1.862 -2.143) 5.880 9.497 ( -6.347 -12.963 -11.106) 18.211 10.134 ( 0.203 3.464 9.173) 9.807 10.252 ( -2.836 -2.742 5.721) 6.949 12.151 ( -1.139 6.992 2.801) 7.617 12.332 ( 0.258 2.377 -2.446) 3.420 12.390 ( -0.474 -0.628 1.300) 1.520 12.402 ( 0.704 0.566 0.857) 1.245 12.580 ( -0.797 -5.692 3.061) 6.512 12.791 ( 0.717 -9.102 -2.703) 9.522 13.816 ( 0.674 0.940 -2.199) 2.484 13.858 ( 0.141 -1.042 -3.219) 3.386 14.313 ( -0.474 1.770 3.107) 3.607 14.366 ( 0.010 -0.696 1.463) 1.620 ======================= Grid point 272 (138/216) ======================= q-point: ( 0.10 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.852 ( -3.587 26.182 1.230) 26.455 3.060 ( -6.163 17.673 12.350) 22.424 3.318 ( -2.131 10.879 -7.072) 13.149 3.756 ( 0.994 -2.685 -1.081) 3.060 3.831 ( 1.086 -11.510 1.562) 11.666 4.070 ( -5.134 -8.559 1.559) 10.102 4.260 ( -2.818 -3.840 -6.348) 7.936 4.495 ( 5.437 -9.847 3.567) 11.800 4.808 ( -6.604 6.840 -5.962) 11.222 5.281 ( 0.758 -6.564 -9.719) 11.752 5.531 ( -1.827 16.774 11.213) 20.259 6.532 ( -5.346 -21.031 10.668) 24.181 6.849 ( 5.968 19.987 1.914) 20.947 7.464 ( 1.485 -2.189 -0.677) 2.730 7.869 ( 7.104 6.842 -2.799) 10.253 8.249 ( 3.946 -1.886 -9.374) 10.344 8.994 ( -1.554 4.213 -2.674) 5.226 9.434 ( 2.714 -12.500 -10.217) 16.371 10.128 ( -3.145 4.268 8.457) 9.981 10.272 ( 3.158 -2.788 5.425) 6.869 12.125 ( -1.962 6.780 2.347) 7.439 12.327 ( -0.363 -0.880 -0.226) 0.979 12.399 ( 1.286 0.148 0.140) 1.302 12.427 ( 1.105 4.231 0.665) 4.424 12.572 ( -0.652 -6.103 2.431) 6.602 12.798 ( 0.880 -8.908 -2.862) 9.398 13.826 ( 0.962 0.650 -2.037) 2.344 13.855 ( 0.575 -0.698 -3.181) 3.307 14.308 ( -0.948 2.085 2.992) 3.768 14.367 ( -0.345 -0.788 1.497) 1.726 ======================= Grid point 273 (139/216) ======================= q-point: ( 0.20 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.755 ( -7.384 24.959 1.011) 26.048 3.037 ( 0.705 13.400 9.015) 16.166 3.273 ( 0.216 12.453 -4.530) 13.253 3.686 ( -7.320 5.094 -4.268) 9.887 3.864 ( 1.829 -8.593 -1.738) 8.956 4.008 ( -0.731 -13.713 0.158) 13.733 4.155 ( -5.066 -3.274 -6.175) 8.632 4.566 ( -1.019 -12.246 2.406) 12.522 4.709 ( -0.687 -0.546 -3.560) 3.666 5.100 ( -9.554 -18.765 -16.845) 26.966 5.708 ( 9.605 21.335 18.980) 30.127 6.429 ( -7.900 -9.605 11.618) 17.019 6.931 ( -1.753 16.366 10.630) 19.594 7.428 ( -1.447 2.329 -6.952) 7.473 8.051 ( 11.438 -5.011 0.024) 12.487 8.181 ( -7.578 -9.334 -2.394) 12.259 9.038 ( 6.269 11.919 -11.061) 17.428 9.478 ( 3.578 -9.372 -10.208) 14.312 10.115 ( 0.584 7.982 7.243) 10.794 10.377 ( 5.589 -4.131 4.093) 8.065 12.098 ( -1.405 7.346 2.432) 7.864 12.322 ( -0.332 -2.197 1.533) 2.699 12.429 ( 0.458 1.029 2.194) 2.466 12.437 ( 0.790 7.303 -2.633) 7.803 12.578 ( 0.627 -7.218 1.831) 7.473 12.807 ( 0.960 -8.885 -3.455) 9.581 13.841 ( 1.046 0.658 -1.724) 2.121 13.862 ( 1.031 -0.336 -3.140) 3.322 14.295 ( -1.246 2.343 2.911) 3.939 14.361 ( -0.659 -0.974 1.509) 1.913 ======================= Grid point 274 (140/216) ======================= q-point: ( 0.30 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.590 ( -8.608 18.051 -1.480) 20.053 3.069 ( -2.012 2.759 -2.397) 4.172 3.312 ( 4.352 13.337 -1.575) 14.117 3.536 ( -2.957 13.089 -1.002) 13.456 3.872 ( -1.275 -3.429 -3.968) 5.397 3.972 ( -2.341 -12.232 -6.756) 14.168 4.098 ( 0.612 -5.506 -3.854) 6.749 4.461 ( -7.366 -11.725 -3.266) 14.227 4.764 ( 5.505 -10.260 0.466) 11.653 4.912 ( -4.819 -16.236 -9.458) 19.399 5.937 ( 7.777 13.259 17.629) 23.390 6.310 ( -7.568 -2.221 11.921) 14.294 6.834 ( -10.329 11.592 14.679) 21.367 7.352 ( -7.781 -6.102 -1.117) 9.951 8.063 ( -1.367 -0.686 0.900) 1.775 8.267 ( 8.460 -5.674 2.194) 10.420 9.087 ( 2.464 11.673 -15.657) 19.684 9.498 ( 2.337 -8.477 -13.280) 15.927 10.212 ( 6.984 10.342 5.015) 13.450 10.495 ( 5.130 -3.034 1.805) 6.227 12.086 ( -0.690 7.946 2.922) 8.494 12.323 ( -0.327 -2.998 2.915) 4.195 12.410 ( -1.231 7.832 -0.702) 7.959 12.465 ( 1.693 2.962 -1.274) 3.642 12.601 ( 0.973 -7.002 1.565) 7.241 12.815 ( 1.044 -8.750 -4.032) 9.691 13.854 ( 0.755 1.071 -1.319) 1.859 13.877 ( 1.507 -0.197 -3.126) 3.476 14.279 ( -1.286 2.430 2.886) 3.986 14.351 ( -0.867 -1.195 1.467) 2.082 ======================= Grid point 275 (141/216) ======================= q-point: ( 0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.443 ( -4.702 6.731 -5.370) 9.811 2.891 ( -11.919 -8.650 -9.579) 17.569 3.384 ( 2.821 10.183 -2.360) 10.827 3.658 ( 12.226 17.746 4.007) 21.920 3.786 ( -3.935 2.107 -2.622) 5.177 3.946 ( 1.332 -10.306 -12.220) 16.041 4.050 ( -2.876 -2.315 -11.771) 12.337 4.344 ( -3.414 -8.538 -0.893) 9.239 4.846 ( -0.775 -13.870 -2.075) 14.046 4.912 ( 8.936 -15.395 0.075) 17.801 6.108 ( 4.590 5.789 14.694) 16.447 6.223 ( -4.227 1.592 14.410) 15.102 6.673 ( -10.082 5.881 16.377) 20.111 7.108 ( -16.612 -11.264 7.496) 21.425 8.096 ( 1.435 7.720 0.219) 7.855 8.344 ( -2.378 -1.584 6.187) 6.815 9.091 ( 4.428 9.729 -16.851) 19.956 9.516 ( 4.987 -9.682 -17.710) 20.791 10.373 ( 6.999 9.586 3.184) 12.289 10.574 ( 2.580 -0.218 -0.365) 2.615 12.085 ( -0.486 8.205 3.550) 8.953 12.322 ( -0.686 -1.889 2.598) 3.285 12.394 ( -0.049 7.368 -0.756) 7.406 12.489 ( 1.052 3.462 -1.391) 3.876 12.619 ( 0.337 -6.604 1.340) 6.747 12.824 ( 1.035 -8.460 -4.318) 9.555 13.861 ( 0.339 1.698 -1.127) 2.066 13.899 ( 1.515 -0.281 -3.009) 3.381 14.264 ( -1.024 2.297 2.961) 3.885 14.337 ( -0.882 -1.367 1.394) 2.142 ======================= Grid point 276 (142/216) ======================= q-point: (-0.50 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.393 ( 1.483 -3.870 -6.374) 7.603 2.640 ( -9.317 -11.455 -9.313) 17.457 3.394 ( -1.117 7.882 -0.070) 7.961 3.734 ( 0.288 3.895 -4.263) 5.782 3.878 ( 4.427 -8.312 -13.655) 16.587 3.952 ( 2.844 2.892 -3.874) 5.609 4.053 ( 11.247 9.081 -7.255) 16.174 4.280 ( -3.339 0.715 -2.759) 4.390 4.845 ( 0.424 -10.559 2.352) 10.826 5.071 ( 6.924 -14.887 -5.412) 17.288 6.168 ( -0.548 4.567 15.715) 16.375 6.299 ( 5.370 -1.251 15.175) 16.146 6.557 ( -6.623 -1.216 18.821) 19.989 6.806 ( -16.208 -8.781 12.411) 22.222 8.004 ( -11.398 10.356 -2.067) 15.538 8.268 ( -5.750 -0.938 5.442) 7.973 9.175 ( 8.595 9.209 -15.125) 19.684 9.601 ( 8.972 -9.993 -17.949) 22.417 10.458 ( -0.136 8.494 2.758) 8.932 10.601 ( 0.977 1.554 -1.636) 2.459 12.086 ( -0.580 8.365 4.100) 9.333 12.316 ( -0.126 1.849 0.572) 1.939 12.399 ( 0.248 3.601 1.084) 3.769 12.498 ( 0.351 3.893 -1.731) 4.275 12.622 ( -0.311 -6.522 1.141) 6.629 12.829 ( 0.763 -8.295 -4.358) 9.401 13.860 ( -0.133 2.210 -1.182) 2.510 13.915 ( 0.972 -0.497 -2.943) 3.139 14.258 ( -0.518 1.999 3.156) 3.772 14.326 ( -0.603 -1.395 1.350) 2.033 ======================= Grid point 277 (143/216) ======================= q-point: (-0.40 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.419 ( 0.771 -4.200 -2.643) 5.022 2.567 ( 6.973 -9.162 -7.873) 13.948 3.376 ( -0.403 6.056 1.880) 6.354 3.723 ( -0.087 -2.460 -3.435) 4.225 3.887 ( -1.109 1.647 -12.594) 12.749 3.996 ( 6.462 -6.786 -8.029) 12.340 4.189 ( -1.554 5.049 -6.400) 8.298 4.318 ( 10.528 4.726 -3.998) 12.213 4.886 ( 3.953 -1.457 -0.029) 4.213 5.129 ( 1.310 -8.909 -7.836) 11.937 6.217 ( -1.368 10.491 21.696) 24.138 6.411 ( 0.355 -2.157 13.545) 13.720 6.546 ( -5.828 -7.249 15.817) 18.349 6.637 ( 2.609 -11.272 17.072) 20.624 7.706 ( -15.905 12.581 -7.086) 21.481 8.145 ( -7.898 -7.412 2.288) 11.070 9.313 ( 9.174 10.933 -13.365) 19.553 9.736 ( 9.041 -8.795 -14.688) 19.360 10.385 ( -7.269 9.730 2.474) 12.395 10.596 ( -1.782 -0.352 -0.437) 1.868 12.088 ( -0.439 8.683 4.371) 9.731 12.324 ( 0.868 4.961 -0.594) 5.072 12.403 ( -0.356 0.386 1.935) 2.005 12.492 ( -0.480 3.257 -1.608) 3.664 12.616 ( -0.634 -6.590 1.090) 6.709 12.826 ( 0.243 -8.563 -4.302) 9.586 13.850 ( -0.501 2.414 -1.490) 2.880 13.917 ( 0.167 -0.797 -2.947) 3.058 14.263 ( 0.016 1.676 3.373) 3.767 14.324 ( -0.078 -1.252 1.368) 1.856 ======================= Grid point 278 (144/216) ======================= q-point: (-0.30 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.487 ( 7.713 7.536 1.591) 10.900 2.788 ( 15.318 -7.313 -3.539) 17.339 3.380 ( -0.556 7.470 1.096) 7.571 3.715 ( -1.101 -0.887 -1.270) 1.900 3.770 ( -5.033 2.803 -7.492) 9.451 4.107 ( 4.748 -4.931 -3.546) 7.710 4.190 ( 5.048 -6.120 -12.359) 14.686 4.409 ( 0.114 -5.411 -2.331) 5.893 4.983 ( 5.233 7.088 -10.423) 13.648 5.118 ( 1.293 -0.273 -3.415) 3.662 6.197 ( -7.384 13.803 23.669) 28.377 6.479 ( -2.347 -3.916 19.356) 19.887 6.495 ( 3.701 -2.506 12.284) 13.072 6.850 ( 9.619 -11.152 8.997) 17.258 7.404 ( -10.844 11.378 -10.152) 18.712 8.009 ( -4.991 -15.052 -0.964) 15.888 9.424 ( 5.231 12.581 -12.438) 18.448 9.838 ( 4.789 -7.203 -12.392) 15.112 10.226 ( -8.986 10.342 4.287) 14.356 10.523 ( -5.617 -3.758 1.917) 7.025 12.097 ( 0.152 8.947 4.245) 9.904 12.341 ( 1.030 7.615 -1.463) 7.823 12.397 ( -0.733 -1.297 1.966) 2.467 12.472 ( -1.117 0.689 -0.612) 1.448 12.604 ( -0.912 -6.651 1.395) 6.857 12.813 ( -0.185 -9.204 -4.164) 10.104 13.834 ( -0.536 2.289 -1.889) 3.016 13.905 ( -0.424 -1.083 -2.992) 3.210 14.277 ( 0.336 1.466 3.460) 3.772 14.331 ( 0.388 -1.032 1.422) 1.799 ======================= Grid point 279 (145/216) ======================= q-point: (-0.20 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.719 ( 13.635 17.192 7.336) 23.137 3.088 ( 15.012 -2.608 -2.835) 15.498 3.308 ( -7.231 20.438 -1.898) 21.762 3.637 ( -1.876 0.882 -3.487) 4.056 3.758 ( 1.648 -11.706 0.920) 11.857 4.164 ( 0.596 -8.750 1.392) 8.880 4.227 ( 1.807 -6.877 -9.586) 11.936 4.383 ( -0.431 -7.391 -3.678) 8.266 5.002 ( 2.084 10.338 -8.960) 13.838 5.158 ( 1.262 6.479 -3.250) 7.358 6.088 ( -9.697 8.348 15.245) 19.903 6.492 ( -1.359 -9.539 15.986) 18.665 6.651 ( 5.481 7.638 12.433) 15.587 7.015 ( 8.618 2.144 -1.820) 9.065 7.274 ( -0.408 3.704 -5.672) 6.786 7.991 ( 3.905 -19.746 -1.562) 20.189 9.405 ( -3.979 13.467 -11.956) 18.443 9.824 ( -2.556 -5.669 -11.679) 13.231 10.112 ( -3.781 7.247 6.985) 10.752 10.408 ( -6.578 -6.136 4.924) 10.255 12.120 ( 0.825 8.724 3.835) 9.566 12.348 ( 0.250 8.076 -2.522) 8.465 12.387 ( -0.756 -0.531 1.452) 1.721 12.448 ( -1.374 -2.274 0.915) 2.809 12.591 ( -0.917 -6.797 2.198) 7.202 12.797 ( -0.135 -9.660 -3.780) 10.374 13.820 ( -0.217 1.916 -2.177) 2.908 13.886 ( -0.535 -1.246 -3.070) 3.356 14.294 ( 0.337 1.421 3.389) 3.691 14.345 ( 0.517 -0.845 1.453) 1.759 ======================= Grid point 280 (146/216) ======================= q-point: (-0.10 0.40 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.982 ( 6.361 22.185 9.395) 24.918 3.150 ( -5.147 26.961 1.633) 27.496 3.300 ( 7.070 4.105 -7.109) 10.834 3.633 ( 2.030 -6.570 -3.214) 7.590 3.801 ( 1.376 -13.473 3.936) 14.103 4.121 ( -1.999 -19.962 3.997) 20.456 4.293 ( 5.569 -0.254 -5.430) 7.783 4.348 ( -2.386 -1.810 -3.177) 4.366 5.049 ( 4.341 12.867 -3.607) 14.050 5.112 ( -4.967 11.983 -1.159) 13.023 5.913 ( -10.998 1.853 4.342) 11.968 6.508 ( 0.256 -17.384 5.060) 18.107 6.739 ( 1.006 12.534 9.053) 15.494 7.244 ( 7.979 -7.937 6.629) 13.062 7.336 ( 13.928 17.750 -9.715) 24.565 8.110 ( 7.024 -13.754 -3.168) 15.765 9.231 ( -8.880 9.842 -8.212) 15.594 9.686 ( -7.664 -8.862 -11.628) 16.507 10.102 ( -0.232 5.028 8.602) 9.967 10.313 ( -4.868 -5.215 6.235) 9.475 12.146 ( 0.562 7.917 3.371) 8.623 12.339 ( -0.158 5.534 -3.027) 6.310 12.383 ( 0.077 0.938 1.040) 1.403 12.420 ( -1.859 -3.107 1.457) 3.903 12.584 ( -0.610 -6.372 3.020) 7.078 12.789 ( 0.318 -9.510 -3.140) 10.020 13.814 ( 0.256 1.414 -2.265) 2.683 13.869 ( -0.272 -1.237 -3.166) 3.410 14.308 ( 0.024 1.528 3.249) 3.590 14.358 ( 0.335 -0.724 1.452) 1.656 ======================= Grid point 281 (147/216) ======================= q-point: ( 0.00 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.341 ( -6.447 -11.793 2.379) 13.649 3.341 ( -6.447 11.793 2.379) 13.649 3.556 ( 2.255 -9.667 -5.180) 11.197 3.556 ( 2.255 9.667 -5.180) 11.197 3.722 ( 3.454 -17.591 9.953) 20.505 3.722 ( 3.454 17.591 9.953) 20.505 4.337 ( 1.059 -2.415 -3.656) 4.508 4.337 ( 1.059 2.415 -3.656) 4.508 5.179 ( -2.827 -9.971 -13.200) 16.782 5.179 ( -2.827 9.971 -13.200) 16.782 6.014 ( -4.594 -26.669 14.031) 30.483 6.014 ( -4.594 26.669 14.031) 30.483 7.116 ( 5.880 -15.755 1.504) 16.884 7.116 ( 5.880 15.755 1.504) 16.884 8.012 ( 10.889 -14.901 -2.833) 18.672 8.012 ( 10.889 14.901 -2.833) 18.672 9.238 ( -7.583 -12.339 -9.606) 17.379 9.238 ( -7.583 12.339 -9.606) 17.379 10.198 ( -1.139 -2.930 7.429) 8.067 10.198 ( -1.139 2.930 7.429) 8.067 12.289 ( -1.874 -6.304 1.445) 6.734 12.289 ( -1.874 6.304 1.445) 6.734 12.383 ( 0.879 -1.638 0.689) 1.983 12.383 ( 0.879 1.638 0.689) 1.983 12.622 ( 0.614 -7.418 -0.794) 7.486 12.622 ( 0.614 7.418 -0.794) 7.486 13.837 ( 0.380 -1.086 -2.743) 2.975 13.837 ( 0.380 1.086 -2.743) 2.975 14.344 ( -0.170 -1.374 2.376) 2.750 14.344 ( -0.170 1.374 2.376) 2.750 ======================= Grid point 283 (148/216) ======================= q-point: ( 0.10 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.229 ( -5.288 -7.324 2.708) 9.430 3.229 ( -5.288 7.324 2.708) 9.430 3.553 ( -0.144 -13.155 -3.642) 13.651 3.553 ( -0.144 13.155 -3.642) 13.651 3.794 ( 0.031 -11.405 8.011) 13.938 3.794 ( 0.031 11.405 8.011) 13.938 4.334 ( -0.202 -7.353 -4.727) 8.744 4.334 ( -0.202 7.353 -4.727) 8.744 5.016 ( -8.895 -13.603 -12.715) 20.636 5.016 ( -8.895 13.603 -12.715) 20.636 6.035 ( 1.509 -26.950 14.299) 30.546 6.035 ( 1.509 26.950 14.299) 30.546 7.245 ( 5.777 -17.322 3.095) 18.520 7.245 ( 5.777 17.322 3.095) 18.520 8.084 ( -1.827 -12.059 -4.656) 13.055 8.084 ( -1.827 12.059 -4.656) 13.055 9.182 ( 4.476 -12.460 -9.334) 16.199 9.182 ( 4.476 12.460 -9.334) 16.199 10.208 ( 0.297 -3.702 7.005) 7.929 10.208 ( 0.297 3.702 7.005) 7.929 12.257 ( -1.669 -5.894 1.802) 6.385 12.257 ( -1.669 5.894 1.802) 6.385 12.415 ( 1.970 -2.157 0.755) 3.017 12.415 ( 1.970 2.157 0.755) 3.017 12.628 ( 0.250 -7.971 -1.395) 8.096 12.628 ( 0.250 7.971 -1.395) 8.096 13.841 ( 0.837 -0.777 -2.633) 2.870 13.841 ( 0.837 0.777 -2.633) 2.870 14.344 ( -0.606 -1.504 2.306) 2.819 14.344 ( -0.606 1.504 2.306) 2.819 ======================= Grid point 285 (149/216) ======================= q-point: ( 0.20 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.131 ( -6.569 -8.278 0.837) 10.600 3.131 ( -6.569 8.278 0.837) 10.600 3.550 ( 1.165 -13.887 -2.260) 14.118 3.550 ( 1.165 13.887 -2.260) 14.118 3.794 ( -0.575 -2.827 4.605) 5.434 3.794 ( -0.575 2.827 4.605) 5.434 4.282 ( -3.571 -14.155 -9.508) 17.422 4.282 ( -3.571 14.155 -9.508) 17.422 4.814 ( -7.333 -9.967 -7.157) 14.295 4.814 ( -7.333 9.967 -7.157) 14.295 6.116 ( 1.683 -19.208 14.842) 24.332 6.116 ( 1.683 19.208 14.842) 24.332 7.293 ( -4.415 -15.679 7.959) 18.130 7.293 ( -4.415 15.679 7.959) 18.130 8.034 ( 1.736 -4.473 -6.136) 7.789 8.034 ( 1.736 4.473 -6.136) 7.789 9.275 ( 5.891 -11.277 -11.103) 16.887 9.275 ( 5.891 11.277 -11.103) 16.887 10.266 ( 3.991 -6.907 5.747) 9.832 10.266 ( 3.991 6.907 5.747) 9.832 12.238 ( -1.005 -6.196 2.710) 6.837 12.238 ( -1.005 6.196 2.710) 6.837 12.457 ( 1.925 -2.728 0.896) 3.457 12.457 ( 1.925 2.728 0.896) 3.457 12.626 ( 0.293 -9.016 -2.743) 9.429 12.626 ( 0.293 9.016 -2.743) 9.429 13.853 ( 1.180 -0.553 -2.451) 2.775 13.853 ( 1.180 0.553 -2.451) 2.775 14.335 ( -0.959 -1.680 2.246) 2.964 14.335 ( -0.959 1.680 2.246) 2.964 ======================= Grid point 287 (150/216) ======================= q-point: ( 0.30 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.938 ( -12.668 -14.730 -3.588) 19.757 2.938 ( -12.668 14.730 -3.588) 19.757 3.591 ( 3.694 -12.892 -5.464) 14.481 3.591 ( 3.694 12.892 -5.464) 14.481 3.838 ( 4.092 -6.457 2.638) 8.087 3.838 ( 4.092 6.457 2.638) 8.087 4.151 ( -5.004 -15.057 -12.487) 20.191 4.151 ( -5.004 15.057 -12.487) 20.191 4.714 ( -2.250 -4.285 0.990) 4.940 4.714 ( -2.250 4.285 0.990) 4.940 6.173 ( -0.299 -10.096 14.367) 17.562 6.173 ( -0.299 10.096 14.367) 17.562 7.123 ( -14.139 -15.149 11.024) 23.472 7.123 ( -14.139 15.149 11.024) 23.472 8.137 ( 8.144 -6.579 -2.280) 10.715 8.137 ( 8.144 6.579 -2.280) 10.715 9.310 ( 1.873 -10.494 -14.234) 17.783 9.310 ( 1.873 10.494 -14.234) 17.783 10.391 ( 6.772 -7.382 3.468) 10.601 10.391 ( 6.772 7.382 3.468) 10.601 12.232 ( -0.628 -6.295 3.586) 7.272 12.232 ( -0.628 6.295 3.586) 7.272 12.491 ( 1.173 -3.557 0.961) 3.866 12.491 ( 1.173 3.557 0.961) 3.866 12.627 ( 0.853 -9.812 -3.982) 10.624 12.627 ( 0.853 9.812 -3.982) 10.624 13.871 ( 1.300 -0.564 -2.237) 2.648 13.871 ( 1.300 0.564 -2.237) 2.648 14.321 ( -1.141 -1.827 2.196) 3.076 14.321 ( -1.141 1.827 2.196) 3.076 ======================= Grid point 289 (151/216) ======================= q-point: ( 0.40 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.655 ( -13.118 -13.178 -8.285) 20.357 2.655 ( -13.118 13.178 -8.285) 20.357 3.626 ( 1.369 -13.513 -8.758) 16.161 3.626 ( 1.369 13.513 -8.758) 16.161 3.901 ( 1.405 -6.556 -9.892) 11.951 3.901 ( 1.405 6.556 -9.892) 11.951 4.117 ( 5.458 -13.209 0.004) 14.292 4.117 ( 5.458 13.209 0.004) 14.292 4.719 ( 1.972 -2.053 3.825) 4.768 4.719 ( 1.972 2.053 3.825) 4.768 6.197 ( -1.155 -3.094 13.909) 14.295 6.197 ( -1.155 3.094 13.909) 14.295 6.868 ( -14.825 -12.069 13.754) 23.550 6.868 ( -14.825 12.069 13.754) 23.550 8.251 ( 1.611 -7.064 2.799) 7.767 8.251 ( 1.611 7.064 2.799) 7.767 9.306 ( 3.928 -11.255 -17.823) 21.442 9.306 ( 3.928 11.255 -17.823) 21.442 10.521 ( 5.088 -5.171 1.545) 7.417 10.521 ( 5.088 5.171 1.545) 7.417 12.233 ( -0.424 -6.315 4.049) 7.514 12.233 ( -0.424 6.315 4.049) 7.514 12.507 ( 0.242 -4.514 0.682) 4.572 12.507 ( 0.242 4.514 0.682) 4.572 12.635 ( 1.215 -9.854 -4.414) 10.865 12.635 ( 1.215 9.854 -4.414) 10.865 13.888 ( 1.061 -0.920 -2.082) 2.511 13.888 ( 1.061 0.920 -2.082) 2.511 14.305 ( -1.053 -1.863 2.195) 3.065 14.305 ( -1.053 1.863 2.195) 3.065 ======================= Grid point 291 (152/216) ======================= q-point: (-0.50 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.436 ( -5.235 -7.503 -10.061) 13.598 2.436 ( -5.235 7.503 -10.061) 13.598 3.592 ( -1.854 -11.882 -6.666) 13.750 3.592 ( -1.854 11.882 -6.666) 13.750 3.898 ( 2.899 -5.794 -13.643) 15.103 3.898 ( 2.899 5.794 -13.643) 15.103 4.257 ( 5.800 -5.134 1.662) 7.922 4.257 ( 5.800 5.134 1.662) 7.922 4.814 ( 6.881 -8.327 0.705) 10.826 4.814 ( 6.881 8.327 0.705) 10.826 6.232 ( 1.008 -3.386 14.748) 15.165 6.232 ( 1.008 3.386 14.748) 15.165 6.647 ( -12.261 -7.277 17.466) 22.547 6.647 ( -12.261 7.277 17.466) 22.547 8.183 ( -9.009 -7.200 2.059) 11.715 8.183 ( -9.009 7.200 2.059) 11.715 9.386 ( 9.346 -11.361 -17.229) 22.655 9.386 ( 9.346 11.361 -17.229) 22.655 10.580 ( 0.416 -3.705 0.708) 3.795 10.580 ( 0.416 3.705 0.708) 3.795 12.240 ( -0.119 -6.648 4.265) 7.900 12.240 ( -0.119 6.648 4.265) 7.900 12.505 ( -0.514 -4.925 0.175) 4.955 12.505 ( -0.514 4.925 0.175) 4.955 12.643 ( 0.855 -9.589 -4.259) 10.527 12.643 ( 0.855 9.589 -4.259) 10.527 13.897 ( 0.452 -1.403 -2.086) 2.554 13.897 ( 0.452 1.403 -2.086) 2.554 14.295 ( -0.645 -1.754 2.282) 2.949 14.295 ( -0.645 1.754 2.282) 2.949 ======================= Grid point 293 (153/216) ======================= q-point: (-0.40 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( 6.809 -4.469 -7.094) 10.800 2.424 ( 6.809 4.469 -7.094) 10.800 3.544 ( -1.170 -10.886 -2.998) 11.352 3.544 ( -1.170 10.886 -2.998) 11.352 3.928 ( 3.836 -1.990 -12.703) 13.418 3.928 ( 3.836 1.990 -12.703) 13.418 4.310 ( -0.479 -4.980 -1.133) 5.129 4.310 ( -0.479 4.980 -1.133) 5.129 4.967 ( 8.757 -7.428 -6.007) 12.959 4.967 ( 8.757 7.428 -6.007) 12.959 6.343 ( 5.552 -4.793 16.193) 17.777 6.343 ( 5.552 4.793 16.193) 17.777 6.502 ( -8.168 -4.721 21.479) 23.460 6.502 ( -8.168 4.721 21.479) 23.460 7.951 ( -13.413 -11.653 -3.147) 18.045 7.951 ( -13.413 11.653 -3.147) 18.045 9.537 ( 9.964 -11.096 -13.909) 20.393 9.537 ( 9.964 11.096 -13.909) 20.393 10.538 ( -4.912 -5.463 1.063) 7.423 10.538 ( -4.912 5.463 1.063) 7.423 12.254 ( 0.226 -7.428 4.543) 8.710 12.254 ( 0.226 7.428 4.543) 8.710 12.490 ( -1.007 -4.545 -0.329) 4.667 12.490 ( -1.007 4.545 -0.329) 4.667 12.640 ( 0.035 -9.285 -3.953) 10.092 12.640 ( 0.035 9.285 -3.953) 10.092 13.893 ( -0.245 -1.768 -2.258) 2.878 13.893 ( -0.245 1.768 -2.258) 2.878 14.295 ( -0.066 -1.575 2.426) 2.893 14.295 ( -0.066 1.575 2.426) 2.893 ======================= Grid point 295 (154/216) ======================= q-point: (-0.30 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.641 ( 15.772 -7.747 -1.420) 17.629 2.641 ( 15.772 7.747 -1.420) 17.629 3.534 ( 0.518 -9.821 -0.656) 9.856 3.534 ( 0.518 9.821 -0.656) 9.856 3.949 ( 0.594 -7.785 -9.194) 12.061 3.949 ( 0.594 7.785 -9.194) 12.061 4.260 ( -2.234 -7.905 -4.593) 9.411 4.260 ( -2.234 7.905 -4.593) 9.411 5.094 ( 6.573 -3.345 -10.650) 12.955 5.094 ( 6.573 3.345 -10.650) 12.955 6.379 ( -7.294 -6.309 22.223) 24.225 6.379 ( -7.294 6.309 22.223) 24.225 6.603 ( 10.975 -12.084 17.130) 23.663 6.603 ( 10.975 12.084 17.130) 23.663 7.690 ( -10.173 -16.221 -8.202) 20.830 7.690 ( -10.173 16.221 -8.202) 20.830 9.660 ( 5.840 -10.735 -12.176) 17.251 9.660 ( 5.840 10.735 -12.176) 17.251 10.408 ( -8.397 -7.773 3.067) 11.847 10.408 ( -8.397 7.773 3.067) 11.847 12.274 ( 0.371 -8.190 4.562) 9.382 12.274 ( 0.371 8.190 4.562) 9.382 12.465 ( -1.404 -3.051 -0.427) 3.385 12.465 ( -1.404 3.051 -0.427) 3.385 12.624 ( -0.458 -8.926 -3.570) 9.625 12.624 ( -0.458 8.926 -3.570) 9.625 13.876 ( -0.617 -1.871 -2.494) 3.178 13.876 ( -0.617 1.871 -2.494) 3.178 14.306 ( 0.367 -1.436 2.527) 2.929 14.306 ( 0.367 1.436 2.527) 2.929 ======================= Grid point 297 (155/216) ======================= q-point: (-0.20 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.986 ( 18.126 -8.966 3.398) 20.506 2.986 ( 18.126 8.966 3.398) 20.506 3.547 ( 0.582 -8.664 -0.538) 8.700 3.547 ( 0.582 8.664 -0.538) 8.700 3.859 ( -7.406 -17.111 -3.521) 18.975 3.859 ( -7.406 17.111 -3.521) 18.975 4.253 ( 3.219 -4.786 -6.587) 8.755 4.253 ( 3.219 4.786 -6.587) 8.755 5.166 ( 4.598 -5.363 -12.325) 14.206 5.166 ( 4.598 5.363 -12.325) 14.206 6.278 ( -9.875 -11.185 21.435) 26.117 6.278 ( -9.875 11.185 21.435) 26.117 6.865 ( 9.450 -11.796 11.438) 18.955 6.865 ( 9.450 11.796 11.438) 18.955 7.573 ( 2.517 -20.727 -8.589) 22.577 7.573 ( 2.517 20.727 -8.589) 22.577 9.657 ( -3.165 -11.007 -12.517) 16.966 9.657 ( -3.165 11.007 -12.517) 16.966 10.267 ( -6.462 -7.878 6.454) 12.061 10.267 ( -6.462 7.878 6.454) 12.061 12.293 ( 0.317 -8.204 3.751) 9.027 12.293 ( 0.317 8.204 3.751) 9.027 12.431 ( -2.068 -0.614 -0.112) 2.160 12.431 ( -2.068 0.614 -0.112) 2.160 12.609 ( 0.063 -8.395 -2.676) 8.812 12.609 ( 0.063 8.395 -2.676) 8.812 13.857 ( -0.521 -1.725 -2.680) 3.229 13.857 ( -0.521 1.725 -2.680) 3.229 14.322 ( 0.460 -1.358 2.528) 2.906 14.322 ( 0.460 1.358 2.528) 2.906 ======================= Grid point 299 (156/216) ======================= q-point: (-0.10 -0.50 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.314 ( 11.977 -7.761 5.074) 15.147 3.314 ( 11.977 7.761 5.074) 15.147 3.532 ( -1.621 -5.029 -2.888) 6.021 3.532 ( -1.621 5.029 -2.888) 6.021 3.712 ( -5.211 -18.805 2.401) 19.661 3.712 ( -5.211 18.805 2.401) 19.661 4.308 ( 3.258 -1.742 -4.765) 6.029 4.308 ( 3.258 1.742 -4.765) 6.029 5.206 ( 3.051 -4.647 -12.771) 13.929 5.206 ( 3.051 4.647 -12.771) 13.929 6.127 ( -10.616 -18.384 16.840) 27.097 6.127 ( -10.616 18.384 16.840) 27.097 7.012 ( 4.578 -13.484 3.734) 14.722 7.012 ( 4.578 13.484 3.734) 14.722 7.745 ( 14.753 -21.030 -3.565) 25.935 7.745 ( 14.753 21.030 -3.565) 25.935 9.471 ( -10.925 -12.497 -11.333) 20.099 9.471 ( -10.925 12.497 -11.333) 20.099 10.207 ( -2.359 -5.455 7.628) 9.670 10.207 ( -2.359 5.455 7.628) 9.670 12.306 ( -0.216 -7.746 2.409) 8.115 12.306 ( -0.216 7.746 2.409) 8.115 12.390 ( -1.742 -1.321 0.224) 2.198 12.390 ( -1.742 1.321 0.224) 2.198 12.611 ( 0.708 -7.665 -1.362) 7.817 12.611 ( 0.708 7.665 -1.362) 7.817 13.842 ( -0.116 -1.428 -2.763) 3.113 13.842 ( -0.116 1.428 -2.763) 3.113 14.337 ( 0.235 -1.329 2.459) 2.805 14.337 ( 0.235 1.329 2.459) 2.805 ======================= Grid point 341 (157/216) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.926 ( 7.758 0.000 25.203) 26.370 2.105 ( -3.035 0.000 13.666) 13.999 2.902 ( 3.397 0.000 -8.598) 9.245 3.052 ( -6.834 0.000 -15.004) 16.487 3.906 ( -2.314 0.000 47.691) 47.747 4.195 ( -10.276 0.000 -1.990) 10.467 4.211 ( 10.053 0.000 0.049) 10.053 4.732 ( -2.588 0.000 -29.050) 29.166 5.270 ( -14.851 0.000 9.450) 17.602 5.362 ( -1.993 0.000 19.307) 19.410 5.478 ( 10.310 0.000 -11.598) 15.518 5.723 ( 8.347 0.000 -17.116) 19.042 6.504 ( -0.469 0.000 4.815) 4.838 6.800 ( 9.722 0.000 -22.865) 24.846 7.655 ( 7.048 0.000 9.062) 11.480 7.807 ( -6.824 0.000 -6.746) 9.596 9.652 ( -6.653 0.000 7.474) 10.006 9.763 ( 4.697 0.000 -4.265) 6.344 10.317 ( 0.747 0.000 14.816) 14.835 10.572 ( -2.063 0.000 -11.804) 11.983 11.849 ( 1.544 0.000 3.488) 3.814 11.917 ( -1.172 0.000 -3.589) 3.775 12.467 ( 0.154 0.000 3.177) 3.181 12.519 ( -0.888 0.000 -2.108) 2.287 13.254 ( 1.895 0.000 3.324) 3.826 13.322 ( -2.530 0.000 -3.622) 4.418 13.800 ( 0.392 0.000 2.121) 2.157 13.843 ( -0.764 0.000 -2.254) 2.380 14.237 ( -1.854 0.000 2.437) 3.062 14.277 ( 2.181 0.000 -1.773) 2.811 ======================= Grid point 342 (158/216) ======================= q-point: ( 0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.161 ( 5.857 0.000 -2.596) 6.407 2.220 ( 14.320 0.000 19.964) 24.569 2.925 ( -0.839 0.000 -13.804) 13.829 2.964 ( 4.396 0.000 3.334) 5.517 4.025 ( -6.523 0.000 -0.309) 6.530 4.072 ( 4.249 0.000 41.246) 41.464 4.467 ( 14.991 0.000 5.392) 15.932 4.658 ( 2.853 0.000 -23.353) 23.527 4.982 ( -15.405 0.000 5.794) 16.459 5.260 ( -6.933 0.000 12.927) 14.668 5.791 ( 16.491 0.000 -4.506) 17.096 5.909 ( 13.871 0.000 -19.212) 23.696 6.531 ( 4.592 0.000 -5.193) 6.932 6.891 ( 6.714 0.000 -24.769) 25.663 7.636 ( -8.447 0.000 -6.736) 10.804 7.826 ( 7.731 0.000 6.880) 10.349 9.548 ( -6.511 0.000 9.608) 11.607 9.831 ( 2.808 0.000 -3.073) 4.163 10.329 ( -3.801 0.000 15.138) 15.608 10.434 ( -8.119 0.000 -11.377) 13.977 11.869 ( -2.530 0.000 -3.645) 4.437 11.879 ( 0.476 0.000 2.924) 2.962 12.475 ( -0.437 0.000 3.737) 3.762 12.493 ( -1.183 0.000 -1.695) 2.067 13.229 ( -5.478 0.000 -2.457) 6.004 13.265 ( -1.902 0.000 3.538) 4.016 13.815 ( 0.299 0.000 2.813) 2.829 13.830 ( 0.200 0.000 -2.168) 2.177 14.208 ( -1.753 0.000 1.972) 2.638 14.314 ( 2.097 0.000 -2.165) 3.014 ======================= Grid point 343 (159/216) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.278 ( 8.527 0.000 -14.540) 16.856 2.541 ( 11.022 0.000 19.476) 22.379 2.977 ( 11.791 0.000 -18.601) 22.023 3.127 ( 9.801 0.000 15.415) 18.267 3.928 ( -4.180 0.000 0.418) 4.201 4.257 ( 2.475 0.000 29.663) 29.766 4.681 ( 3.738 0.000 -10.568) 11.210 4.726 ( -9.127 0.000 9.653) 13.285 4.820 ( 15.566 0.000 6.902) 17.027 5.206 ( -1.658 0.000 8.650) 8.808 6.007 ( 6.926 0.000 -5.168) 8.642 6.075 ( 7.841 0.000 -22.250) 23.591 6.701 ( 14.958 0.000 -12.552) 19.526 6.934 ( 5.817 0.000 -23.393) 24.105 7.453 ( -7.899 0.000 -3.718) 8.730 7.983 ( 6.525 0.000 2.116) 6.860 9.458 ( -5.852 0.000 12.031) 13.379 9.829 ( -3.086 0.000 0.700) 3.164 10.210 ( -10.914 0.000 -10.690) 15.277 10.275 ( -5.273 0.000 10.452) 11.707 11.805 ( -2.746 0.000 -2.750) 3.887 11.884 ( -0.619 0.000 1.814) 1.917 12.467 ( -0.902 0.000 -1.434) 1.694 12.472 ( -1.044 0.000 3.979) 4.113 13.113 ( -5.467 0.000 -1.101) 5.577 13.206 ( -4.742 0.000 2.684) 5.449 13.828 ( 0.138 0.000 3.309) 3.312 13.838 ( 1.182 0.000 -2.175) 2.475 14.182 ( -1.425 0.000 2.134) 2.566 14.342 ( 1.398 0.000 -2.876) 3.197 ======================= Grid point 344 (160/216) ======================= q-point: ( 0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.432 ( 11.895 0.000 -11.152) 16.305 2.765 ( 8.031 0.000 15.449) 17.411 3.222 ( 15.759 0.000 -18.455) 24.268 3.415 ( 13.469 0.000 18.713) 23.056 3.836 ( -5.604 0.000 -1.091) 5.709 4.298 ( -4.954 0.000 18.921) 19.559 4.625 ( -2.109 0.000 3.655) 4.220 4.712 ( 0.414 0.000 0.818) 0.917 5.182 ( 15.668 0.000 16.199) 22.537 5.241 ( 2.475 0.000 6.907) 7.338 6.064 ( -0.959 0.000 -23.449) 23.469 6.089 ( 5.383 0.000 -10.084) 11.431 6.894 ( 3.621 0.000 -14.676) 15.116 6.979 ( 4.375 0.000 -20.556) 21.016 7.397 ( 6.280 0.000 0.969) 6.354 8.076 ( 2.743 0.000 -1.788) 3.274 9.409 ( -2.850 0.000 15.410) 15.672 9.719 ( -8.559 0.000 6.480) 10.736 9.972 ( -9.265 0.000 -11.662) 14.895 10.188 ( -5.673 0.000 1.731) 5.931 11.756 ( -1.529 0.000 -1.138) 1.906 11.867 ( -1.479 0.000 0.537) 1.573 12.452 ( -0.149 0.000 -1.412) 1.420 12.459 ( -1.450 0.000 3.836) 4.101 13.020 ( -3.763 0.000 -0.163) 3.767 13.113 ( -5.118 0.000 1.528) 5.341 13.838 ( -0.132 0.000 3.432) 3.435 13.858 ( 1.421 0.000 -2.260) 2.669 14.169 ( -0.604 0.000 2.956) 3.017 14.350 ( 0.369 0.000 -3.768) 3.786 ======================= Grid point 345 (161/216) ======================= q-point: ( 0.40 0.00 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.680 ( 15.007 0.000 -2.211) 15.169 2.970 ( 8.451 0.000 10.507) 13.484 3.367 ( 2.847 0.000 -15.000) 15.268 3.603 ( -6.110 0.000 2.916) 6.771 3.822 ( 10.612 0.000 12.798) 16.626 4.286 ( 0.484 0.000 16.712) 16.719 4.582 ( -3.732 0.000 -5.354) 6.527 4.685 ( -3.959 0.000 2.351) 4.605 5.329 ( 3.895 0.000 9.510) 10.277 5.481 ( 7.956 0.000 17.830) 19.525 5.975 ( 1.123 0.000 -21.147) 21.177 6.177 ( 6.074 0.000 -11.397) 12.914 6.773 ( -8.018 0.000 -9.940) 12.770 6.939 ( -2.930 0.000 -17.589) 17.832 7.650 ( 15.029 0.000 0.660) 15.043 8.068 ( -3.460 0.000 -1.814) 3.906 9.443 ( 1.036 0.000 17.162) 17.193 9.571 ( -8.244 0.000 10.523) 13.367 9.819 ( -1.382 0.000 -14.187) 14.254 10.059 ( -6.713 0.000 -6.598) 9.413 11.743 ( 0.338 0.000 0.435) 0.551 11.832 ( -1.972 0.000 -0.509) 2.037 12.440 ( -1.469 0.000 3.357) 3.665 12.454 ( 0.773 0.000 -1.625) 1.799 12.971 ( -1.253 0.000 0.348) 1.300 13.028 ( -3.661 0.000 0.590) 3.709 13.842 ( -0.526 0.000 3.261) 3.303 13.877 ( 1.226 0.000 -2.366) 2.664 14.178 ( 0.445 0.000 4.023) 4.047 14.334 ( -0.615 0.000 -4.572) 4.613 ======================= Grid point 346 (162/216) ======================= q-point: (-0.50 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.960 ( 11.814 0.000 4.464) 12.629 3.023 ( -9.486 0.000 -2.300) 9.761 3.378 ( 7.157 0.000 -0.148) 7.159 3.394 ( -12.107 0.000 -3.415) 12.580 4.117 ( 11.633 0.000 18.349) 21.726 4.345 ( -5.915 0.000 4.205) 7.257 4.483 ( 1.146 0.000 -1.235) 1.685 4.583 ( -5.410 0.000 -1.908) 5.737 5.444 ( 4.396 0.000 12.415) 13.171 5.532 ( -5.309 0.000 7.156) 8.910 6.039 ( 7.532 0.000 -7.935) 10.940 6.176 ( -4.052 0.000 -15.936) 16.443 6.648 ( -1.342 0.000 -0.846) 1.586 6.802 ( -4.083 0.000 -14.617) 15.176 7.895 ( 8.678 0.000 2.869) 9.140 7.919 ( -11.513 0.000 0.386) 11.519 9.495 ( -2.456 0.000 12.562) 12.800 9.524 ( 2.707 0.000 11.093) 11.419 9.864 ( 9.465 0.000 -11.140) 14.618 9.903 ( -5.590 0.000 -13.580) 14.685 11.768 ( 1.833 0.000 1.236) 2.211 11.791 ( -1.968 0.000 -0.995) 2.205 12.424 ( -1.067 0.000 2.696) 2.900 12.471 ( 1.513 0.000 -1.987) 2.498 12.975 ( 1.559 0.000 0.449) 1.622 12.979 ( -1.357 0.000 -0.009) 1.357 13.838 ( -0.842 0.000 2.988) 3.105 13.891 ( 0.937 0.000 -2.433) 2.607 14.207 ( 1.078 0.000 4.751) 4.872 14.301 ( -1.222 0.000 -4.964) 5.112 ======================= Grid point 347 (163/216) ======================= q-point: (-0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.684 ( -21.038 0.000 -2.590) 21.196 3.062 ( -9.206 0.000 15.978) 18.440 3.185 ( -3.300 0.000 -12.414) 12.846 3.593 ( 11.706 0.000 2.385) 11.947 4.095 ( -13.965 0.000 -12.192) 18.538 4.330 ( 4.545 0.000 15.606) 16.255 4.535 ( 2.816 0.000 -3.735) 4.678 4.557 ( -1.064 0.000 15.521) 15.557 5.403 ( -7.660 0.000 2.931) 8.202 5.565 ( 3.161 0.000 16.425) 16.726 5.960 ( -9.658 0.000 -24.966) 26.769 6.098 ( 0.072 0.000 -5.834) 5.834 6.658 ( -1.453 0.000 9.153) 9.268 6.768 ( 4.048 0.000 -9.641) 10.457 7.648 ( -15.254 0.000 1.001) 15.287 8.002 ( 1.787 0.000 4.985) 5.296 9.547 ( 2.655 0.000 13.764) 14.018 9.622 ( 4.928 0.000 5.134) 7.117 9.790 ( -0.079 0.000 -18.094) 18.095 10.069 ( 12.984 0.000 -7.381) 14.936 11.755 ( -1.314 0.000 -0.686) 1.482 11.816 ( 2.604 0.000 1.061) 2.812 12.416 ( -0.421 0.000 2.092) 2.134 12.498 ( 1.798 0.000 -2.371) 2.976 12.976 ( 1.073 0.000 -0.216) 1.094 13.032 ( 4.194 0.000 0.164) 4.198 13.828 ( -1.046 0.000 2.670) 2.868 13.899 ( 0.606 0.000 -2.500) 2.572 14.243 ( 0.988 0.000 4.862) 4.961 14.262 ( -1.178 0.000 -4.691) 4.837 ======================= Grid point 348 (164/216) ======================= q-point: (-0.30 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.261 ( -21.471 0.000 5.683) 22.210 2.818 ( -17.953 0.000 20.000) 26.876 3.074 ( -5.817 0.000 -14.570) 15.688 3.738 ( -6.670 0.000 -12.309) 14.000 3.846 ( 2.103 0.000 -3.240) 3.863 4.462 ( -14.905 0.000 26.713) 30.590 4.466 ( 8.160 0.000 4.524) 9.330 4.605 ( 2.342 0.000 1.314) 2.686 5.309 ( -1.750 0.000 -0.001) 1.750 5.570 ( -10.357 0.000 3.382) 10.895 5.768 ( 0.654 0.000 -16.341) 16.354 6.063 ( -0.463 0.000 -7.911) 7.924 6.605 ( -7.270 0.000 15.109) 16.767 6.798 ( -1.769 0.000 -5.861) 6.122 7.408 ( -6.981 0.000 0.038) 6.981 8.024 ( -0.530 0.000 4.084) 4.118 9.607 ( 0.780 0.000 1.992) 2.140 9.731 ( 4.287 0.000 3.737) 5.687 9.846 ( 8.979 0.000 -5.286) 10.419 10.293 ( 11.744 0.000 -7.387) 13.874 11.741 ( 0.001 0.000 0.472) 0.472 11.870 ( 2.633 0.000 0.074) 2.634 12.420 ( 0.200 0.000 1.803) 1.815 12.523 ( 1.518 0.000 -2.646) 3.051 13.018 ( 3.119 0.000 0.068) 3.120 13.133 ( 6.000 0.000 -0.520) 6.022 13.813 ( -1.156 0.000 2.278) 2.554 13.899 ( 0.127 0.000 -2.631) 2.634 14.233 ( -0.410 0.000 -3.743) 3.765 14.270 ( 0.277 0.000 4.442) 4.451 ======================= Grid point 349 (165/216) ======================= q-point: (-0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 216 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.928 ( -15.218 0.000 18.108) 23.653 2.505 ( -20.299 0.000 25.292) 32.431 2.931 ( -2.525 0.000 -18.012) 18.188 3.477 ( -10.236 0.000 -18.266) 20.939 3.947 ( 3.373 0.000 2.296) 4.080 4.198 ( -18.959 0.000 33.821) 38.773 4.560 ( -3.314 0.000 -4.565) 5.641 4.709 ( 11.192 0.000 4.978) 12.249 5.300 ( -11.121 0.000 -22.013) 24.663 5.325 ( 3.041 0.000 -1.633) 3.451 5.744 ( -4.860 0.000 4.413) 6.565 6.007 ( -5.389 0.000 -5.562) 7.744 6.515 ( -5.402 0.000 16.309) 17.181 6.677 ( -3.949 0.000 -10.808) 11.507 7.397 ( 3.545 0.000 2.503) 4.340 8.006 ( -2.213 0.000 0.443) 2.257 9.632 ( 2.721 0.000 -4.496) 5.255 9.788 ( -0.035 0.000 3.881) 3.881 10.036 ( 9.190 0.000 5.850) 10.894 10.472 ( 8.994 0.000 -8.871) 12.633 11.759 ( 1.426 0.000 2.060) 2.506 11.914 ( 1.917 0.000 -1.348) 2.343 12.434 ( 0.565 0.000 1.963) 2.042 12.538 ( 0.776 0.000 -2.706) 2.815 13.093 ( 4.336 0.000 0.914) 4.432 13.251 ( 5.916 0.000 -1.724) 6.162 13.798 ( -0.962 0.000 1.893) 2.123 13.888 ( -0.437 0.000 -2.697) 2.732 14.227 ( 0.721 0.000 -2.575) 2.674 14.277 ( -0.758 0.000 3.753) 3.829 ======================= Grid point 350 (166/216) ======================= q-point: (-0.10 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.805 ( -3.928 0.000 26.931) 27.216 2.224 ( -14.587 0.000 23.067) 27.292 2.880 ( 2.040 0.000 -15.254) 15.390 3.249 ( -7.857 0.000 -18.941) 20.506 3.917 ( -12.144 0.000 43.698) 45.354 4.080 ( 2.899 0.000 0.975) 3.059 4.409 ( -9.913 0.000 -3.002) 10.358 4.875 ( 0.134 0.000 -15.934) 15.935 5.143 ( 7.481 0.000 -11.796) 13.968 5.385 ( 1.274 0.000 2.620) 2.913 5.598 ( -10.578 0.000 7.289) 12.846 5.798 ( -11.069 0.000 -7.822) 13.554 6.498 ( -1.539 0.000 12.413) 12.508 6.678 ( 7.658 0.000 -18.372) 19.904 7.506 ( 5.721 0.000 7.028) 9.063 7.935 ( -4.562 0.000 -3.965) 6.044 9.688 ( 4.224 0.000 -4.777) 6.377 9.751 ( -4.834 0.000 5.160) 7.071 10.212 ( 5.785 0.000 11.497) 12.870 10.579 ( 4.540 0.000 -10.710) 11.632 11.802 ( 2.030 0.000 3.228) 3.813 11.932 ( 0.535 0.000 -2.719) 2.771 12.452 ( 0.542 0.000 2.496) 2.554 12.537 ( -0.142 0.000 -2.503) 2.507 13.183 ( 4.138 0.000 2.182) 4.678 13.332 ( 2.624 0.000 -3.236) 4.166 13.791 ( -0.195 0.000 1.761) 1.772 13.867 ( -0.851 0.000 -2.508) 2.649 14.244 ( 1.669 0.000 -1.848) 2.490 14.263 ( -1.621 0.000 3.074) 3.475 ======================= Grid point 351 (167/216) ======================= q-point: ( 0.00 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.012 ( -0.322 8.512 26.252) 27.599 2.236 ( 5.343 12.503 12.078) 18.187 2.867 ( -3.392 -1.411 -6.690) 7.632 3.069 ( -1.784 1.923 -19.105) 19.284 4.074 ( -1.563 12.776 34.165) 36.509 4.182 ( -6.490 -1.145 -0.153) 6.592 4.238 ( 5.590 4.566 6.909) 9.991 4.816 ( -3.370 6.730 -22.065) 23.313 5.083 ( -9.106 -11.193 14.139) 20.202 5.330 ( 12.745 -10.250 -7.653) 18.058 5.556 ( -7.690 9.672 4.570) 13.174 5.786 ( 7.360 3.216 -15.785) 17.711 6.561 ( -0.068 6.573 6.401) 9.175 6.877 ( 8.637 8.119 -22.924) 25.807 7.657 ( 9.424 -0.222 7.990) 12.357 7.779 ( -8.900 -2.703 -4.790) 10.462 9.626 ( -5.963 -2.947 7.684) 10.163 9.756 ( 4.221 -1.255 -5.927) 7.384 10.292 ( 1.058 -2.146 13.564) 13.773 10.511 ( -2.679 -5.334 -9.362) 11.103 11.882 ( 1.258 3.254 3.452) 4.908 11.949 ( -0.827 3.180 -3.497) 4.799 12.458 ( 0.229 -0.880 3.047) 3.180 12.508 ( -0.982 -1.137 -1.993) 2.496 13.189 ( 1.271 -6.287 3.544) 7.328 13.257 ( -1.856 -6.131 -3.364) 7.235 13.796 ( 0.539 -0.322 1.849) 1.953 13.840 ( -0.546 -0.352 -2.761) 2.836 14.254 ( -1.708 1.668 2.701) 3.605 14.298 ( 1.786 1.782 -1.751) 3.071 ======================= Grid point 352 (168/216) ======================= q-point: ( 0.10 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.107 ( 4.722 1.114 14.328) 15.127 2.432 ( 10.046 14.385 3.659) 17.923 2.766 ( -3.992 -5.700 -0.286) 6.965 3.074 ( 6.039 2.875 -9.958) 11.996 4.051 ( -5.020 2.152 -0.625) 5.498 4.186 ( 2.465 9.113 27.458) 29.036 4.477 ( 13.712 3.438 15.158) 20.727 4.725 ( -0.918 2.840 -12.817) 13.160 4.916 ( -9.992 -3.173 4.352) 11.351 5.421 ( -4.976 14.198 3.502) 15.447 5.595 ( 15.990 -14.416 -7.129) 22.679 5.878 ( 4.234 -6.291 -15.171) 16.961 6.623 ( 5.029 7.296 -4.915) 10.133 7.014 ( 12.982 12.714 -22.620) 29.015 7.574 ( -10.227 -5.254 -4.980) 12.530 7.863 ( 9.180 2.481 5.398) 10.934 9.523 ( -7.019 -2.732 10.124) 12.618 9.805 ( 1.921 -3.056 -4.700) 5.926 10.274 ( -7.377 -4.901 7.517) 11.617 10.423 ( -2.842 -0.792 -2.611) 3.940 11.875 ( -2.430 1.785 -0.263) 3.027 11.938 ( 0.434 4.749 -0.540) 4.799 12.464 ( -0.736 -1.054 2.596) 2.897 12.484 ( -0.686 -0.781 -0.517) 1.161 13.183 ( -4.180 -4.495 -2.070) 6.478 13.197 ( -1.763 -6.437 3.232) 7.415 13.813 ( 0.597 -0.110 2.119) 2.205 13.828 ( 0.111 -0.328 -2.560) 2.584 14.227 ( -1.776 1.823 2.349) 3.464 14.327 ( 1.662 1.143 -1.916) 2.782 ======================= Grid point 353 (169/216) ======================= q-point: ( 0.20 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( 9.563 -0.273 -3.399) 10.153 2.622 ( 9.026 5.993 5.064) 11.960 2.761 ( 3.795 -8.448 2.444) 9.578 3.230 ( 10.630 1.122 1.526) 10.797 3.972 ( -3.685 3.806 0.135) 5.299 4.293 ( 0.560 3.570 16.591) 16.980 4.652 ( -6.359 -4.876 5.524) 9.733 4.754 ( -1.750 3.280 2.511) 4.486 4.854 ( 15.493 4.485 11.467) 19.790 5.408 ( 2.230 18.800 2.215) 19.061 5.836 ( 0.102 -13.813 -8.989) 16.481 5.916 ( 16.135 -15.634 -15.371) 27.222 6.651 ( 0.116 1.878 -17.685) 17.785 7.259 ( 16.702 21.820 -19.827) 33.885 7.379 ( -7.178 -5.791 -0.699) 9.249 8.028 ( 6.301 3.598 1.053) 7.332 9.422 ( -6.698 -3.932 13.639) 15.696 9.789 ( -2.529 -4.299 -2.634) 5.640 10.080 ( -11.599 -6.913 -1.530) 13.589 10.379 ( -2.832 5.390 3.571) 7.059 11.818 ( -2.730 1.694 -1.356) 3.487 11.938 ( -0.610 4.880 0.201) 4.922 12.447 ( -1.010 -1.358 0.338) 1.726 12.478 ( -0.591 0.068 2.308) 2.383 13.090 ( -4.435 -2.397 -1.538) 5.271 13.151 ( -3.876 -5.414 2.981) 7.296 13.826 ( 0.154 -0.202 1.620) 1.640 13.834 ( 1.113 -0.392 -1.514) 1.920 14.202 ( -1.434 1.890 2.424) 3.392 14.347 ( 1.040 0.542 -2.456) 2.722 ======================= Grid point 354 (170/216) ======================= q-point: ( 0.30 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.453 ( 11.665 2.148 -8.217) 14.429 2.806 ( 6.821 3.638 13.401) 15.471 2.956 ( 15.187 -16.632 -2.719) 22.685 3.460 ( 10.378 -2.340 7.779) 13.179 3.884 ( -5.225 3.773 -1.989) 6.745 4.270 ( -6.280 -0.982 10.090) 11.925 4.563 ( -3.880 -5.651 5.680) 8.903 4.713 ( -2.203 -1.232 -2.407) 3.488 5.219 ( 13.593 5.168 19.737) 24.516 5.490 ( 4.867 20.098 5.429) 21.380 5.771 ( -0.556 -16.223 -15.773) 22.634 6.219 ( 16.585 -8.489 -8.588) 20.515 6.531 ( -5.291 -4.281 -22.205) 23.224 7.239 ( -3.434 -1.344 -9.459) 10.153 7.549 ( 13.179 20.357 -7.442) 25.367 8.101 ( 1.202 2.033 -2.297) 3.294 9.354 ( -4.949 -5.992 17.803) 19.426 9.701 ( -5.293 -3.307 -0.599) 6.270 9.869 ( -7.619 -3.697 -5.108) 9.890 10.312 ( -4.983 8.138 0.415) 9.551 11.773 ( -1.363 2.036 -0.378) 2.479 11.915 ( -1.659 4.519 -0.498) 4.840 12.434 ( -0.316 -1.079 0.354) 1.179 12.470 ( -0.927 0.488 2.215) 2.451 13.011 ( -3.095 -0.974 -0.829) 3.349 13.075 ( -4.308 -3.724 2.004) 6.037 13.834 ( -0.072 -0.385 2.506) 2.536 13.853 ( 1.332 -0.510 -2.115) 2.550 14.189 ( -0.681 1.870 3.047) 3.640 14.351 ( 0.186 0.190 -3.252) 3.263 ======================= Grid point 355 (171/216) ======================= q-point: ( 0.40 0.10 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.694 ( 14.069 1.486 -1.166) 14.196 2.987 ( 7.649 1.527 8.754) 11.725 3.215 ( 9.741 -12.966 -4.024) 16.709 3.587 ( -3.820 -1.962 5.300) 6.822 3.827 ( 3.969 -0.301 2.601) 4.755 4.202 ( -1.313 -6.287 10.431) 12.250 4.484 ( -6.109 -9.227 -0.937) 11.105 4.624 ( -6.256 -5.897 -3.943) 9.458 5.423 ( 3.247 6.425 13.594) 15.383 5.649 ( 5.389 14.898 11.788) 19.747 5.745 ( 3.845 -14.351 -10.291) 18.073 6.352 ( -5.536 -1.799 -20.929) 21.723 6.503 ( 14.296 -1.636 -5.009) 15.236 7.124 ( -6.448 4.841 -13.210) 15.476 7.734 ( 7.634 9.269 -0.286) 12.011 8.064 ( -4.128 -0.669 -2.958) 5.123 9.319 ( -4.430 -8.770 18.634) 21.065 9.614 ( -2.113 -2.597 -4.740) 5.803 9.800 ( 2.253 4.873 -2.745) 6.029 10.186 ( -6.938 9.338 -4.703) 12.548 11.766 ( 0.472 2.452 0.991) 2.687 11.874 ( -2.162 4.025 -1.269) 4.742 12.435 ( -0.107 -0.394 1.537) 1.591 12.459 ( -0.360 0.392 0.344) 0.634 12.969 ( -0.985 -0.299 -0.395) 1.102 13.005 ( -3.195 -2.378 1.145) 4.144 13.836 ( -0.524 -0.474 2.956) 3.039 13.872 ( 1.281 -0.552 -2.595) 2.947 14.195 ( 0.265 1.631 3.914) 4.248 14.336 ( -0.611 0.182 -4.010) 4.060 ======================= Grid point 356 (172/216) ======================= q-point: (-0.50 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.950 ( 9.396 -1.190 4.477) 10.476 3.029 ( -7.328 0.205 -3.670) 8.199 3.343 ( 3.487 -2.766 3.969) 5.963 3.417 ( -6.109 2.227 -3.224) 7.258 4.018 ( 9.681 -8.830 14.372) 19.448 4.243 ( -4.295 -9.872 -1.454) 10.863 4.367 ( -1.026 -11.839 5.803) 13.225 4.473 ( -4.236 -7.927 -7.635) 11.793 5.498 ( 1.060 3.626 10.834) 11.474 5.652 ( -2.176 4.483 -1.466) 5.194 5.884 ( 5.247 -5.270 8.560) 11.339 6.189 ( -5.167 -0.285 -18.521) 19.230 6.745 ( 9.836 8.377 0.118) 12.920 6.892 ( -11.619 6.748 -14.022) 19.420 7.835 ( -2.263 -3.601 8.414) 9.428 7.961 ( -1.234 2.454 -4.172) 4.995 9.310 ( -0.980 -9.051 15.484) 17.962 9.608 ( 4.044 -2.633 -11.123) 12.124 9.881 ( 1.009 8.989 4.261) 9.998 10.062 ( 0.440 9.850 -10.959) 14.742 11.792 ( 1.385 2.576 1.992) 3.538 11.829 ( -1.621 3.748 -1.776) 4.453 12.429 ( -0.968 0.482 2.374) 2.609 12.469 ( 1.428 -0.218 -1.560) 2.127 12.961 ( -1.073 -1.605 0.798) 2.089 12.974 ( 1.264 -0.443 -0.500) 1.430 13.831 ( -0.877 -0.569 2.858) 3.043 13.886 ( 0.993 -0.502 -2.708) 2.928 14.220 ( 0.875 1.233 4.536) 4.782 14.306 ( -1.033 0.515 -4.399) 4.548 ======================= Grid point 357 (173/216) ======================= q-point: (-0.40 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.716 ( -19.409 3.015 -3.269) 19.912 3.021 ( -9.584 -4.258 11.645) 15.672 3.174 ( -5.844 -0.883 -9.212) 10.945 3.597 ( 11.513 0.846 2.266) 11.764 4.022 ( -9.592 -6.844 -10.243) 15.613 4.251 ( 4.054 -6.118 15.265) 16.938 4.338 ( 3.740 -15.941 -2.153) 16.515 4.549 ( 4.144 -2.496 7.973) 9.326 5.520 ( -1.828 -5.225 10.302) 11.695 5.596 ( -4.276 14.698 1.415) 15.373 5.893 ( -7.074 -9.710 -5.276) 13.121 6.104 ( 3.417 4.308 -6.189) 8.279 6.560 ( -15.087 1.462 -10.223) 18.283 6.939 ( 6.432 6.232 3.137) 9.489 7.689 ( -10.517 3.544 4.579) 12.005 8.010 ( 2.550 1.460 2.834) 4.082 9.389 ( 4.805 -10.390 12.064) 16.630 9.694 ( 7.750 -3.640 -15.753) 17.930 9.792 ( -5.860 8.354 0.898) 10.244 10.191 ( 10.622 9.324 -5.257) 15.080 11.782 ( -1.419 2.798 -0.422) 3.166 11.849 ( 2.618 3.342 0.961) 4.353 12.419 ( -0.595 0.255 1.672) 1.793 12.496 ( 1.752 -0.160 -1.903) 2.592 12.960 ( 0.860 -1.670 0.501) 1.945 13.023 ( 3.667 -1.111 -0.627) 3.882 13.820 ( -1.108 -0.706 2.565) 2.882 13.894 ( 0.599 -0.513 -2.739) 2.850 14.250 ( 0.581 0.775 3.935) 4.053 14.276 ( -0.582 1.216 -3.489) 3.741 ======================= Grid point 358 (174/216) ======================= q-point: (-0.30 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.322 ( -19.635 6.012 4.209) 20.962 2.742 ( -19.435 -6.613 15.874) 25.951 3.059 ( -3.787 -0.509 -13.622) 14.148 3.706 ( -5.442 -3.464 -11.467) 13.157 3.886 ( 4.077 3.256 -3.384) 6.219 4.348 ( 3.533 -5.625 8.419) 10.724 4.487 ( 5.347 -8.960 8.258) 13.306 4.572 ( -2.690 3.803 10.813) 11.774 5.466 ( -10.038 12.824 6.852) 17.668 5.493 ( -5.674 -8.586 11.585) 15.496 5.706 ( -3.293 -5.922 -23.448) 24.407 6.182 ( -6.867 8.093 -4.645) 11.586 6.289 ( 0.697 -10.537 -0.995) 10.607 7.032 ( 1.202 5.287 6.434) 8.414 7.489 ( -10.259 9.898 1.405) 14.325 8.046 ( 0.151 2.499 3.596) 4.382 9.545 ( 6.847 -10.634 10.203) 16.250 9.671 ( -1.458 -0.053 -11.426) 11.519 9.859 ( 8.532 1.327 -2.320) 8.941 10.370 ( 8.693 6.202 -4.766) 11.694 11.766 ( -0.027 2.678 0.374) 2.704 11.905 ( 2.654 3.385 0.433) 4.323 12.417 ( -0.015 -0.230 1.393) 1.412 12.521 ( 1.359 -0.228 -2.232) 2.624 12.996 ( 2.593 -2.188 0.694) 3.463 13.107 ( 5.045 -2.673 -1.142) 5.823 13.804 ( -1.175 -0.823 2.173) 2.604 13.893 ( 0.102 -0.583 -2.766) 2.828 14.247 ( -0.208 1.311 -2.347) 2.696 14.282 ( 0.399 1.190 3.189) 3.427 ======================= Grid point 359 (175/216) ======================= q-point: (-0.20 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.028 ( -12.446 9.831 15.245) 21.999 2.427 ( -17.093 -4.989 19.899) 26.702 2.965 ( -1.128 3.040 -15.528) 15.863 3.481 ( -10.069 -0.771 -17.438) 20.151 3.992 ( 4.464 3.766 -0.923) 5.912 4.304 ( -13.189 9.994 28.502) 32.957 4.492 ( -2.845 -6.000 0.776) 6.686 4.709 ( 11.032 -0.490 3.188) 11.494 5.274 ( -8.857 -2.844 -8.092) 12.329 5.369 ( -7.346 -1.095 6.965) 10.182 5.651 ( -1.387 -4.101 -5.697) 7.155 5.929 ( -8.403 -4.489 -12.619) 15.811 6.456 ( 8.463 2.973 3.919) 9.789 6.974 ( -9.032 14.973 4.642) 18.092 7.376 ( 0.157 0.968 0.682) 1.195 8.029 ( -2.887 1.974 1.340) 3.746 9.646 ( 1.964 0.157 -8.233) 8.466 9.677 ( 3.123 -9.298 7.301) 12.227 10.027 ( 8.383 -1.041 2.492) 8.808 10.493 ( 5.568 1.865 -6.166) 8.515 11.786 ( 1.614 2.762 1.784) 3.663 11.949 ( 1.786 3.382 -0.834) 3.915 12.426 ( 0.426 -0.673 1.631) 1.815 12.533 ( 0.541 -0.502 -2.404) 2.515 13.060 ( 3.503 -3.317 1.421) 5.029 13.202 ( 4.784 -4.741 -2.053) 7.041 13.789 ( -0.855 -0.757 1.817) 2.146 13.881 ( -0.411 -0.603 -2.763) 2.858 14.245 ( 0.732 1.732 -1.817) 2.614 14.292 ( -0.437 1.335 2.978) 3.293 ======================= Grid point 360 (176/216) ======================= q-point: (-0.10 0.10 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.946 ( -2.273 13.644 23.640) 27.390 2.227 ( -9.038 1.623 20.967) 22.890 2.918 ( 0.407 3.781 -14.479) 14.970 3.242 ( -8.608 -0.197 -18.934) 20.800 4.046 ( -0.654 6.469 12.084) 13.722 4.158 ( -6.966 12.430 26.856) 30.402 4.371 ( -8.508 -3.913 -2.750) 9.760 4.906 ( 4.923 1.048 -7.711) 9.208 5.116 ( -0.679 -2.169 -10.828) 11.064 5.270 ( -6.152 -11.891 10.545) 17.043 5.598 ( -0.212 3.779 -3.079) 4.879 5.805 ( -2.761 -0.009 -12.197) 12.505 6.565 ( -0.295 5.607 9.246) 10.817 6.832 ( -0.555 14.235 -12.834) 19.175 7.469 ( 7.073 -2.876 6.227) 9.853 7.939 ( -6.199 -0.064 -2.136) 6.557 9.679 ( 1.722 -3.457 -2.321) 4.505 9.707 ( -0.335 -2.316 1.801) 2.953 10.187 ( 5.805 -2.395 9.257) 11.186 10.546 ( 1.843 -2.715 -8.077) 8.718 11.833 ( 2.328 3.129 2.952) 4.891 11.965 ( 0.297 3.167 -2.287) 3.918 12.442 ( 0.528 -0.902 2.272) 2.501 12.528 ( -0.364 -0.865 -2.319) 2.501 13.134 ( 3.180 -4.885 2.536) 6.357 13.265 ( 2.106 -6.340 -3.100) 7.365 13.785 ( -0.070 -0.518 1.682) 1.762 13.862 ( -0.708 -0.520 -2.748) 2.885 14.262 ( 0.981 1.606 -0.281) 1.902 14.284 ( -0.773 1.868 1.495) 2.514 ======================= Grid point 361 (177/216) ======================= q-point: ( 0.00 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.249 ( -4.883 15.092 23.958) 28.733 2.560 ( 9.836 19.061 5.888) 22.242 2.886 ( -7.128 3.705 -3.514) 8.769 3.179 ( -0.621 10.036 -20.562) 22.889 4.135 ( -1.333 -3.029 -0.226) 3.317 4.161 ( 0.451 -1.407 -1.945) 2.443 4.551 ( 0.293 21.403 31.013) 37.683 4.841 ( -10.112 -10.147 14.813) 20.607 4.941 ( -0.435 1.354 -7.740) 7.870 5.078 ( 9.367 -14.831 -4.711) 18.163 5.709 ( -1.117 2.365 -5.978) 6.525 5.845 ( 2.011 7.432 -17.473) 19.094 6.788 ( -0.056 15.843 9.979) 18.724 7.108 ( 8.702 13.415 -19.303) 25.066 7.626 ( 9.122 -2.629 6.166) 11.320 7.714 ( -9.222 -3.289 -3.560) 10.418 9.520 ( -3.704 -8.006 8.491) 12.244 9.688 ( 2.036 -6.076 -8.975) 11.028 10.255 ( 1.998 -1.096 10.561) 10.804 10.403 ( -3.876 -4.705 -4.907) 7.826 11.971 ( 0.176 5.451 3.500) 6.480 12.038 ( 0.362 5.601 -3.411) 6.567 12.437 ( 0.398 -1.047 2.649) 2.876 12.478 ( -1.182 -1.677 -1.525) 2.556 13.025 ( 0.132 -9.757 3.901) 10.509 13.100 ( -0.522 -9.300 -3.583) 9.980 13.790 ( 0.785 -0.220 1.114) 1.380 13.829 ( -0.422 -0.692 -2.918) 3.028 14.295 ( -1.329 2.192 2.834) 3.821 14.336 ( 1.115 1.922 -1.459) 2.658 ======================= Grid point 362 (178/216) ======================= q-point: ( 0.10 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.236 ( -2.625 11.798 18.792) 22.343 2.703 ( 3.426 9.516 -19.977) 22.392 2.789 ( -2.084 10.690 23.225) 25.652 3.139 ( 2.099 6.040 -13.225) 14.690 4.085 ( -1.708 0.632 -0.350) 1.854 4.239 ( 4.792 -3.606 -0.111) 5.998 4.668 ( -9.214 -4.799 12.103) 15.950 4.708 ( 5.750 13.125 24.012) 27.962 4.917 ( -1.582 1.721 -3.704) 4.380 5.291 ( 14.177 -14.147 -5.819) 20.856 5.649 ( -2.905 -7.423 -10.139) 12.898 5.827 ( 1.359 17.787 -7.718) 19.437 6.776 ( -0.703 8.136 -5.768) 9.998 7.354 ( 19.679 19.461 -18.710) 33.408 7.453 ( -12.326 -6.483 -1.070) 13.968 7.890 ( 11.902 0.138 3.028) 12.282 9.425 ( -8.330 -7.672 10.485) 15.434 9.695 ( 0.691 -7.930 -6.943) 10.563 10.187 ( -9.071 -2.617 3.462) 10.056 10.409 ( 2.923 -0.652 3.184) 4.371 11.939 ( -3.113 4.520 0.922) 5.565 12.054 ( 1.253 6.674 -1.862) 7.041 12.438 ( -1.105 -1.403 1.016) 2.055 12.466 ( 0.194 -0.972 1.209) 1.563 13.027 ( -1.138 -10.055 4.029) 10.892 13.066 ( -1.781 -7.376 -3.223) 8.244 13.809 ( 0.798 -0.360 0.530) 1.024 13.818 ( 0.122 -0.516 -2.302) 2.362 14.272 ( -1.660 2.556 2.683) 4.060 14.353 ( 0.900 1.318 -1.367) 2.101 ======================= Grid point 363 (179/216) ======================= q-point: ( 0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.285 ( 4.005 3.175 9.316) 10.626 2.690 ( 3.571 6.961 -13.203) 15.347 2.841 ( -0.276 9.879 14.182) 17.286 3.205 ( 6.294 -0.958 1.184) 6.476 4.047 ( -2.925 2.784 -0.132) 4.040 4.298 ( 0.487 -4.507 -1.346) 4.729 4.535 ( -7.812 -6.380 10.494) 14.555 4.779 ( -4.235 -1.329 0.202) 4.443 5.004 ( 10.950 6.353 13.261) 18.333 5.524 ( -2.174 -18.258 -19.604) 26.877 5.601 ( 14.499 -7.044 6.563) 17.404 5.883 ( 5.122 25.386 -1.479) 25.939 6.731 ( -0.748 4.654 -16.482) 17.142 7.231 ( -8.368 -6.860 -2.748) 11.164 7.695 ( 18.595 18.705 -16.241) 30.975 8.096 ( 7.817 3.559 0.239) 8.593 9.278 ( -9.743 -11.023 13.723) 20.118 9.666 ( -1.782 -7.095 -5.919) 9.410 10.013 ( -8.601 0.503 2.719) 9.035 10.461 ( 0.838 2.701 3.345) 4.380 11.880 ( -2.717 4.644 0.154) 5.383 12.058 ( -0.400 6.880 -1.688) 7.095 12.420 ( -0.758 -1.272 0.428) 1.542 12.475 ( -0.051 -0.324 2.474) 2.496 13.006 ( -2.131 -8.835 3.649) 9.794 13.018 ( -2.063 -4.948 -2.763) 6.031 13.817 ( 0.771 -0.718 -2.710) 2.907 13.827 ( 0.511 -0.206 1.282) 1.395 14.250 ( -1.432 2.715 2.733) 4.110 14.361 ( 0.376 0.760 -1.606) 1.816 ======================= Grid point 364 (180/216) ======================= q-point: ( 0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.451 ( 10.671 -4.667 2.587) 11.931 2.780 ( 7.996 3.683 -5.514) 10.388 2.905 ( 4.564 5.431 10.100) 12.342 3.360 ( 7.355 -5.132 9.420) 13.007 3.954 ( -6.142 2.941 -1.981) 7.092 4.233 ( -5.966 -4.454 -3.936) 8.421 4.410 ( -8.221 -9.755 6.893) 14.500 4.668 ( -6.651 -2.476 -3.665) 7.987 5.266 ( 10.107 -6.248 8.030) 14.341 5.429 ( 0.112 -16.518 -9.752) 19.182 5.912 ( 10.879 8.065 2.817) 13.833 5.990 ( 6.652 9.949 8.024) 14.409 6.672 ( 1.701 10.219 -19.485) 22.068 7.127 ( -1.577 -6.969 -4.708) 8.557 7.936 ( 10.274 13.592 -16.465) 23.694 8.158 ( -2.246 5.903 0.092) 6.317 9.158 ( -6.233 -13.281 15.545) 21.375 9.594 ( -3.633 -5.590 -6.002) 8.971 9.915 ( -1.176 6.591 2.555) 7.166 10.451 ( -2.578 5.624 0.912) 6.254 11.844 ( -1.029 5.166 0.741) 5.320 12.030 ( -1.756 6.839 -2.112) 7.370 12.415 ( 0.099 -0.867 0.683) 1.108 12.476 ( -0.583 0.117 2.233) 2.311 12.969 ( -2.441 -6.708 2.862) 7.691 12.974 ( -1.520 -3.099 -2.244) 4.117 13.826 ( 0.482 -0.374 -0.280) 0.671 13.840 ( 0.826 -0.601 -0.734) 1.258 14.235 ( -0.849 2.648 3.085) 4.154 14.358 ( -0.184 0.418 -2.142) 2.190 ======================= Grid point 365 (181/216) ======================= q-point: ( 0.40 0.20 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.685 ( 11.723 -6.507 2.384) 13.618 2.925 ( 6.278 -6.984 0.134) 9.392 3.105 ( 12.506 6.606 7.346) 15.938 3.514 ( 3.506 -4.862 11.641) 13.094 3.825 ( -4.307 0.994 -5.339) 6.932 4.085 ( -6.379 -6.133 -4.430) 9.896 4.245 ( -9.711 -13.947 2.272) 17.146 4.481 ( -10.304 -7.644 -7.926) 15.081 5.382 ( 4.323 -13.123 -2.458) 14.034 5.494 ( 2.827 -10.541 1.330) 10.995 6.004 ( 1.585 18.513 11.052) 21.619 6.186 ( 6.788 -1.257 3.288) 7.647 6.732 ( 8.792 12.193 -10.692) 18.447 7.101 ( -0.484 -4.580 -9.120) 10.217 7.987 ( -4.527 14.654 -3.516) 15.735 8.033 ( -4.909 -2.335 -4.035) 6.770 9.137 ( -1.306 -9.292 15.662) 18.257 9.509 ( -1.331 -5.985 -12.111) 13.575 9.986 ( 6.675 11.584 3.177) 13.741 10.366 ( -5.755 8.297 -2.251) 10.345 11.845 ( 0.654 5.606 1.945) 5.970 11.982 ( -2.289 6.729 -2.594) 7.566 12.427 ( 0.879 -0.406 0.903) 1.324 12.466 ( -0.860 0.343 1.331) 1.621 12.932 ( -2.075 -4.960 2.503) 5.931 12.949 ( -0.281 -2.015 -2.267) 3.046 13.829 ( -0.455 -0.136 1.997) 2.053 13.857 ( 1.348 -0.826 -2.766) 3.186 14.236 ( -0.104 2.325 3.615) 4.300 14.342 ( -0.600 0.431 -2.732) 2.830 ======================= Grid point 366 (182/216) ======================= q-point: (-0.50 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.884 ( 5.871 -7.174 3.597) 9.944 2.957 ( -3.487 -9.110 -3.381) 10.324 3.348 ( 3.450 5.503 10.247) 12.132 3.498 ( -1.453 6.104 -0.928) 6.343 3.823 ( 3.428 -9.427 2.784) 10.410 4.005 ( -0.846 -12.425 -9.195) 15.481 4.111 ( -3.654 -11.763 8.471) 14.949 4.295 ( -1.883 -9.938 -10.857) 14.839 5.467 ( -3.467 -12.989 -0.340) 13.448 5.475 ( 3.538 -9.491 -0.269) 10.132 6.065 ( -0.767 15.021 15.346) 21.488 6.253 ( 1.398 7.476 -4.697) 8.939 6.884 ( 6.502 3.653 -0.534) 7.477 6.990 ( -8.983 1.865 -11.055) 14.366 7.798 ( -10.181 1.193 13.796) 17.187 8.033 ( 4.101 5.698 -8.820) 11.273 9.156 ( -1.942 -6.727 14.824) 16.394 9.509 ( 6.507 -5.924 -19.700) 21.576 10.114 ( -0.177 12.489 7.087) 14.361 10.260 ( 0.829 9.881 -7.673) 12.538 11.872 ( 0.858 5.531 3.268) 6.481 11.934 ( -1.300 6.783 -3.072) 7.559 12.441 ( -0.602 0.665 1.556) 1.796 12.463 ( 1.091 -0.405 -0.485) 1.261 12.908 ( -1.037 -3.903 2.163) 4.581 12.952 ( 1.214 -2.133 -2.269) 3.342 13.821 ( -0.950 -0.251 2.241) 2.447 13.873 ( 1.111 -0.725 -3.004) 3.284 14.252 ( 0.457 1.835 4.026) 4.448 14.321 ( -0.651 0.833 -3.080) 3.256 ======================= Grid point 367 (183/216) ======================= q-point: (-0.40 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.726 ( -15.360 -5.501 -1.257) 16.364 2.930 ( -5.382 -4.333 -0.523) 6.929 3.180 ( -11.234 4.035 -0.665) 11.955 3.635 ( 6.680 2.119 0.333) 7.016 3.869 ( 0.473 -6.872 -4.268) 8.104 4.023 ( 5.293 -14.053 -4.785) 15.761 4.147 ( 7.506 -3.303 11.293) 13.956 4.420 ( 11.491 -10.712 -0.949) 15.738 5.341 ( -7.677 -12.723 1.753) 14.963 5.532 ( 0.110 -15.157 -2.117) 15.305 6.008 ( -9.208 17.859 13.448) 24.178 6.274 ( 3.205 10.920 -4.547) 12.256 6.692 ( -16.881 9.276 -11.277) 22.320 6.955 ( 0.938 -3.763 5.075) 6.388 7.719 ( -3.686 -1.594 15.430) 15.944 8.113 ( 4.743 9.291 -3.123) 10.889 9.174 ( 1.305 -10.724 7.607) 13.212 9.615 ( 8.878 -3.706 -18.890) 21.199 9.997 ( -7.797 11.346 2.423) 13.978 10.374 ( 7.703 8.584 -3.044) 11.928 11.866 ( -1.512 5.663 0.695) 5.902 11.946 ( 2.376 6.343 0.186) 6.776 12.426 ( -0.933 0.443 0.737) 1.269 12.491 ( 1.600 -0.398 -0.819) 1.841 12.907 ( 0.292 -3.843 2.016) 4.349 12.981 ( 2.425 -3.292 -2.403) 4.743 13.806 ( -1.212 -0.454 1.997) 2.380 13.881 ( 0.602 -0.670 -2.912) 3.048 14.273 ( 0.343 1.424 3.420) 3.720 14.304 ( -0.008 1.474 -2.349) 2.773 ======================= Grid point 368 (184/216) ======================= q-point: (-0.30 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.425 ( -13.796 0.707 3.896) 14.353 2.702 ( -15.143 7.407 3.528) 17.223 3.051 ( -1.857 -0.568 -7.295) 7.549 3.617 ( -4.934 -4.626 -12.265) 14.006 3.946 ( 7.580 2.214 -1.630) 8.063 4.166 ( 7.921 -12.391 1.947) 14.835 4.387 ( 11.703 -0.874 10.732) 15.903 4.597 ( 4.923 -2.055 2.052) 5.716 5.208 ( -6.748 -19.568 6.626) 21.733 5.411 ( -11.733 -13.042 -0.031) 17.543 5.869 ( -7.094 20.102 9.285) 23.252 6.277 ( -10.961 9.475 -21.934) 26.287 6.410 ( 2.298 10.515 4.593) 11.703 6.988 ( 0.904 -6.454 8.135) 10.424 7.671 ( -6.510 3.729 11.477) 13.712 8.160 ( -0.093 9.662 -0.260) 9.666 9.264 ( 5.996 -15.298 3.263) 16.752 9.687 ( 2.606 0.029 -14.309) 14.545 9.928 ( 1.404 6.134 1.350) 6.436 10.487 ( 4.407 4.999 -2.382) 7.078 11.849 ( -0.086 5.727 0.468) 5.747 11.998 ( 2.457 5.850 0.849) 6.402 12.414 ( -0.486 -0.092 0.591) 0.771 12.514 ( 0.979 -0.563 -1.329) 1.744 12.929 ( 1.264 -4.685 2.154) 5.309 13.028 ( 2.967 -5.376 -2.737) 6.723 13.788 ( -1.128 -0.573 1.644) 2.074 13.879 ( 0.043 -0.720 -2.752) 2.845 14.279 ( 0.111 1.806 0.062) 1.810 14.311 ( 0.608 1.549 1.134) 2.014 ======================= Grid point 369 (185/216) ======================= q-point: (-0.20 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.271 ( -3.267 11.846 9.245) 15.378 2.448 ( -12.088 11.014 10.921) 19.665 3.026 ( 1.242 2.549 -9.793) 10.195 3.456 ( -6.339 -0.666 -17.463) 18.589 4.064 ( 4.191 2.795 -1.742) 5.330 4.287 ( 3.078 -10.556 -0.453) 11.005 4.575 ( -2.812 10.663 20.235) 23.045 4.669 ( 8.807 -3.547 -2.348) 9.781 5.063 ( -11.261 -19.241 9.161) 24.103 5.223 ( -6.569 -7.371 8.968) 13.338 5.779 ( -4.267 14.452 3.339) 15.434 5.979 ( -7.548 9.287 -27.910) 30.367 6.569 ( 8.529 6.781 2.468) 11.172 7.047 ( 2.196 -4.095 11.808) 12.690 7.536 ( -8.582 9.404 3.459) 13.192 8.095 ( -6.288 5.942 -0.518) 8.667 9.401 ( 6.338 -15.941 2.662) 17.360 9.678 ( 1.116 0.801 -8.274) 8.387 10.018 ( 5.905 0.961 1.434) 6.152 10.528 ( 0.549 1.132 -2.832) 3.099 11.870 ( 1.889 5.739 1.322) 6.185 12.038 ( 1.431 5.464 0.098) 5.649 12.412 ( 0.063 -0.665 0.970) 1.177 12.519 ( 0.011 -0.922 -1.662) 1.901 12.965 ( 1.551 -6.270 2.624) 6.972 13.075 ( 2.596 -7.832 -3.195) 8.847 13.775 ( -0.561 -0.479 1.343) 1.533 13.867 ( -0.419 -0.785 -2.649) 2.794 14.286 ( 0.626 2.153 -0.155) 2.248 14.323 ( 0.142 1.658 1.428) 2.193 ======================= Grid point 370 (186/216) ======================= q-point: (-0.10 0.20 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.293 ( -5.925 18.158 19.688) 27.431 2.361 ( 5.695 14.811 10.187) 18.857 3.004 ( -1.928 4.142 -8.793) 9.909 3.288 ( -4.428 5.736 -20.734) 21.964 4.107 ( 1.655 1.438 -2.213) 3.115 4.257 ( -4.943 -7.299 -2.288) 9.107 4.525 ( -6.045 19.742 26.651) 33.713 4.835 ( 5.181 -7.993 5.399) 10.949 4.964 ( 0.778 -16.508 3.012) 16.798 5.093 ( -10.244 -2.179 6.216) 12.179 5.733 ( -0.644 8.569 -2.205) 8.872 5.854 ( 2.208 6.452 -26.755) 27.611 6.709 ( 4.649 9.595 6.413) 12.442 7.103 ( -0.752 8.176 1.943) 8.437 7.452 ( 2.837 3.074 0.925) 4.284 7.929 ( -9.926 0.127 -1.767) 10.083 9.505 ( 2.844 -12.414 4.813) 13.615 9.682 ( 1.402 -2.174 -8.002) 8.410 10.143 ( 5.582 -1.110 6.229) 8.438 10.494 ( -2.954 -2.460 -3.709) 5.342 11.924 ( 2.764 5.861 2.378) 6.902 12.050 ( -0.081 5.168 -1.376) 5.349 12.421 ( 0.462 -1.035 1.731) 2.070 12.505 ( -0.882 -1.370 -1.719) 2.369 13.001 ( 1.145 -8.211 3.310) 8.927 13.103 ( 1.256 -9.505 -3.563) 10.228 13.776 ( 0.254 -0.294 1.165) 1.228 13.848 ( -0.614 -0.770 -2.728) 2.901 14.299 ( 0.293 2.014 1.412) 2.477 14.326 ( 0.105 2.077 -0.085) 2.081 ======================= Grid point 371 (187/216) ======================= q-point: ( 0.00 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.596 ( -4.246 19.637 15.252) 25.224 2.907 ( 3.858 13.505 -14.305) 20.047 3.067 ( -3.265 16.387 17.735) 24.367 3.436 ( 0.726 14.085 -18.118) 22.960 4.042 ( -0.798 -6.474 1.532) 6.700 4.107 ( 0.022 -3.868 -5.262) 6.531 4.605 ( -3.718 -12.635 10.046) 16.565 4.711 ( 4.527 -16.569 1.054) 17.208 4.935 ( -6.325 1.811 8.362) 10.641 4.974 ( 8.106 9.350 3.473) 12.853 5.713 ( -11.117 3.214 6.610) 13.327 6.097 ( 9.733 15.037 -25.203) 30.920 7.079 ( -9.738 6.579 13.118) 17.612 7.274 ( 16.177 3.914 -3.035) 16.918 7.617 ( 13.024 0.136 2.416) 13.247 7.729 ( -12.522 10.563 -12.508) 20.611 9.319 ( -0.508 -11.632 9.130) 14.796 9.516 ( -1.722 -10.969 -11.024) 15.646 10.253 ( 2.297 0.796 7.472) 7.857 10.340 ( -3.893 -1.790 -1.533) 4.551 12.087 ( -1.144 6.167 3.681) 7.272 12.159 ( 1.625 6.328 -3.683) 7.500 12.421 ( 0.571 -0.499 1.976) 2.116 12.446 ( -1.257 -1.587 -0.539) 2.095 12.823 ( -0.815 -10.139 4.189) 11.000 12.907 ( 0.593 -9.833 -4.197) 10.708 13.788 ( 0.724 -0.012 0.374) 0.815 13.816 ( -0.307 -0.594 -2.533) 2.620 14.335 ( -0.849 1.759 2.535) 3.200 14.368 ( 0.576 1.149 -0.856) 1.545 ======================= Grid point 372 (188/216) ======================= q-point: ( 0.10 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.548 ( -5.916 18.754 14.683) 24.542 2.890 ( 0.817 11.672 -10.938) 16.017 3.070 ( -2.912 14.951 18.679) 24.103 3.350 ( -3.519 14.544 -16.849) 22.535 4.045 ( 0.019 -5.661 1.989) 6.000 4.121 ( 2.629 -7.010 -3.948) 8.464 4.518 ( -7.312 -10.577 8.420) 15.370 4.733 ( -0.936 -7.479 -2.478) 7.934 4.894 ( -0.183 -8.672 5.055) 10.039 5.198 ( 10.252 -0.554 -6.070) 11.927 5.553 ( -5.378 7.582 16.434) 18.881 6.256 ( 12.037 21.911 -17.308) 30.406 6.896 ( -9.330 1.025 1.338) 9.481 7.374 ( -11.418 1.083 2.019) 11.645 7.647 ( 15.356 5.107 -21.728) 27.093 7.936 ( 16.469 8.546 2.690) 18.748 9.219 ( -10.369 -12.158 7.228) 17.538 9.515 ( 2.396 -9.791 -4.034) 10.857 10.185 ( -6.728 1.943 2.826) 7.552 10.392 ( 4.715 -1.204 3.819) 6.186 12.047 ( -3.090 6.187 2.161) 7.245 12.189 ( 1.769 6.622 -3.100) 7.523 12.414 ( -1.060 -0.990 0.508) 1.537 12.451 ( 0.822 -0.472 1.862) 2.090 12.818 ( -0.866 -10.539 4.241) 11.393 12.903 ( 0.268 -8.798 -4.027) 9.680 13.801 ( 0.457 -0.344 -1.095) 1.236 13.811 ( 0.593 -0.202 -1.113) 1.277 14.320 ( -1.295 2.157 2.437) 3.503 14.374 ( 0.296 0.765 -0.747) 1.109 ======================= Grid point 373 (189/216) ======================= q-point: ( 0.20 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.455 ( -6.248 14.118 8.600) 17.672 2.922 ( 5.106 14.592 -3.601) 15.874 3.038 ( -5.284 9.396 6.703) 12.694 3.267 ( 0.138 8.452 -2.765) 8.894 4.031 ( -2.227 -5.696 0.339) 6.125 4.152 ( 0.730 -8.473 -5.784) 10.285 4.385 ( -8.963 -10.209 8.464) 16.007 4.716 ( -1.249 -3.106 0.990) 3.492 4.898 ( 0.821 -15.617 -5.165) 16.469 5.180 ( -4.200 -14.300 -9.317) 17.577 5.736 ( 13.046 16.504 23.231) 31.341 6.403 ( 3.689 25.776 -2.432) 26.152 6.786 ( 1.344 -0.469 -11.744) 11.830 7.150 ( -9.078 0.302 -4.266) 10.035 7.882 ( 12.876 -0.215 -19.566) 23.423 8.225 ( 11.673 7.591 -0.121) 13.925 9.027 ( -10.533 -11.197 8.634) 17.632 9.535 ( -0.148 -6.344 -0.550) 6.370 10.081 ( -3.870 5.718 2.964) 7.514 10.484 ( 3.293 -0.405 3.024) 4.489 11.998 ( -2.231 7.093 1.629) 7.612 12.199 ( 0.171 7.176 -3.194) 7.857 12.400 ( -0.492 -0.650 0.850) 1.178 12.468 ( 0.312 -0.258 2.276) 2.312 12.816 ( -0.657 -9.956 4.077) 10.779 12.894 ( 0.049 -7.522 -4.000) 8.520 13.806 ( 0.885 -0.209 -2.541) 2.699 13.825 ( 0.635 -0.060 0.517) 0.821 14.301 ( -1.318 2.384 2.461) 3.671 14.374 ( -0.130 0.406 -0.834) 0.937 ======================= Grid point 374 (190/216) ======================= q-point: ( 0.30 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.398 ( -0.615 2.400 3.846) 4.575 2.924 ( -4.650 4.439 -4.707) 7.967 3.077 ( 10.041 13.525 2.931) 17.098 3.336 ( 4.670 4.481 9.676) 11.641 3.961 ( -4.274 -3.668 -3.148) 6.452 4.079 ( -5.540 -10.214 -10.344) 15.557 4.209 ( -12.116 -9.713 8.293) 17.605 4.601 ( -9.966 -6.034 -4.248) 12.401 4.961 ( 7.504 -17.056 -7.551) 20.106 5.145 ( 2.219 -12.868 1.425) 13.135 6.051 ( 11.627 11.561 19.107) 25.178 6.374 ( -4.955 16.508 7.486) 18.791 6.838 ( 2.593 5.278 -7.266) 9.348 7.047 ( 2.547 1.495 -13.903) 14.214 7.992 ( 3.920 -3.392 -17.019) 17.791 8.364 ( 2.131 7.924 -1.813) 8.404 8.905 ( -3.403 -8.592 8.741) 12.721 9.491 ( -4.274 -5.313 -0.736) 6.858 10.086 ( 3.855 9.991 2.541) 11.006 10.528 ( 0.408 2.018 1.266) 2.417 11.975 ( -0.574 7.998 1.951) 8.252 12.177 ( -1.288 7.947 -3.481) 8.771 12.401 ( 0.237 -0.587 1.462) 1.594 12.476 ( -0.170 -0.053 1.849) 1.857 12.815 ( -0.688 -8.550 3.756) 9.364 12.883 ( 0.131 -6.329 -4.036) 7.508 13.821 ( 1.340 0.005 -2.462) 2.803 13.836 ( 0.290 0.150 0.757) 0.825 14.286 ( -0.996 2.321 2.658) 3.667 14.365 ( -0.481 0.194 -1.127) 1.240 ======================= Grid point 375 (191/216) ======================= q-point: ( 0.40 0.30 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( 5.984 -10.624 3.462) 12.676 2.841 ( -2.912 -5.276 -5.140) 7.920 3.309 ( 11.204 8.766 5.409) 15.219 3.482 ( 7.009 6.675 10.761) 14.474 3.848 ( -6.219 -0.355 -6.128) 8.738 3.917 ( -6.418 -9.963 -12.789) 17.436 3.985 ( -10.020 -11.731 5.188) 16.277 4.366 ( -11.403 -3.093 -8.147) 14.352 5.091 ( 6.328 -14.077 -1.319) 15.490 5.222 ( 3.520 -15.369 0.122) 15.768 6.274 ( 4.418 7.454 15.190) 17.487 6.339 ( 1.026 13.715 9.909) 16.952 6.825 ( -0.624 -3.226 -0.092) 3.287 7.073 ( 0.485 2.408 -14.195) 14.406 8.000 ( 2.309 0.567 -6.956) 7.351 8.271 ( -9.635 13.143 -1.872) 16.403 8.964 ( 5.165 -7.705 8.054) 12.285 9.387 ( -3.608 -6.607 -8.898) 11.655 10.221 ( 8.014 11.543 2.315) 14.242 10.503 ( -2.957 5.401 -0.740) 6.201 11.984 ( 0.607 8.323 2.973) 8.858 12.134 ( -1.902 8.455 -3.758) 9.446 12.419 ( 1.102 -0.485 1.595) 1.998 12.472 ( -0.638 0.303 1.031) 1.250 12.811 ( -0.846 -7.194 3.455) 8.026 12.877 ( 0.480 -5.529 -4.073) 6.884 13.834 ( -0.082 0.670 0.682) 0.960 13.846 ( 1.258 -0.100 -2.138) 2.483 14.280 ( -0.442 1.996 2.977) 3.611 14.350 ( -0.609 0.201 -1.472) 1.606 ======================= Grid point 376 (192/216) ======================= q-point: (-0.50 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.619 ( 7.543 -16.800 4.808) 19.033 2.735 ( -7.281 -13.413 -6.035) 16.412 3.464 ( -0.214 1.150 12.222) 12.278 3.624 ( 2.161 5.662 5.089) 7.914 3.738 ( 0.372 0.891 -13.778) 13.812 3.803 ( 2.041 -6.519 -11.632) 13.490 3.961 ( 5.561 -1.755 7.928) 9.842 4.137 ( -7.669 -3.151 -9.774) 12.818 5.167 ( -0.580 -14.745 3.578) 15.184 5.251 ( 1.183 -13.513 -4.635) 14.334 6.333 ( -0.113 10.636 14.097) 17.660 6.439 ( 3.182 10.201 5.021) 11.806 6.848 ( 2.061 -6.828 2.013) 7.411 6.958 ( -6.967 -4.322 -7.537) 11.137 7.910 ( -15.539 9.672 14.904) 23.604 8.197 ( 7.015 10.225 -10.223) 16.071 9.034 ( -2.611 -5.674 11.020) 12.667 9.380 ( 8.724 -7.404 -21.314) 24.192 10.344 ( -0.804 10.418 5.055) 11.608 10.441 ( 1.223 8.058 -4.878) 9.499 12.007 ( 0.208 7.981 4.420) 9.126 12.092 ( -0.773 8.949 -4.174) 9.905 12.449 ( 1.507 -0.284 1.099) 1.887 12.458 ( -1.004 0.401 0.265) 1.113 12.805 ( -0.740 -6.505 3.312) 7.337 12.878 ( 0.916 -5.469 -4.117) 6.907 13.827 ( -0.887 0.830 1.208) 1.713 13.864 ( 1.122 -0.070 -2.618) 2.849 14.286 ( 0.095 1.554 3.257) 3.610 14.334 ( -0.385 0.456 -1.676) 1.779 ======================= Grid point 377 (193/216) ======================= q-point: (-0.40 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.540 ( -9.285 -10.532 -3.403) 14.447 2.761 ( 5.710 -12.326 2.641) 13.839 3.363 ( -10.751 9.888 1.850) 14.724 3.629 ( -1.570 -0.194 -1.048) 1.898 3.766 ( 5.635 -6.499 -1.127) 8.675 3.873 ( 4.442 0.998 -11.036) 11.938 4.120 ( 11.641 -9.218 -7.204) 16.504 4.197 ( 12.056 -0.204 7.543) 14.223 5.074 ( -8.281 -12.468 1.529) 15.045 5.253 ( -1.056 -13.298 -2.960) 13.665 6.338 ( -3.953 14.473 12.341) 19.426 6.484 ( 1.935 9.530 -1.799) 9.890 6.814 ( -4.505 -3.997 -0.185) 6.025 6.862 ( -4.681 0.467 1.246) 4.867 7.681 ( -10.022 0.357 19.344) 21.789 8.303 ( 2.969 7.179 1.290) 7.875 9.001 ( 0.072 -5.198 -1.811) 5.505 9.535 ( 11.136 -4.852 -18.163) 21.851 10.224 ( -8.471 11.200 1.858) 14.166 10.516 ( 3.922 5.504 -1.856) 7.008 12.004 ( -1.361 8.151 2.574) 8.656 12.095 ( 1.767 8.619 -1.472) 8.921 12.436 ( -1.135 0.500 -0.183) 1.254 12.480 ( 1.290 -0.615 0.350) 1.471 12.803 ( -0.365 -6.632 3.286) 7.410 12.887 ( 1.135 -6.321 -4.169) 7.657 13.809 ( -1.205 0.813 1.007) 1.768 13.872 ( 0.454 -0.198 -2.516) 2.564 14.300 ( 0.264 1.231 2.972) 3.227 14.328 ( 0.256 0.841 -1.291) 1.562 ======================= Grid point 378 (194/216) ======================= q-point: (-0.30 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.424 ( -1.110 2.177 1.414) 2.823 2.865 ( 4.025 0.528 0.150) 4.062 3.131 ( -10.811 13.111 -2.321) 17.151 3.560 ( -3.023 -0.257 -9.689) 10.153 3.913 ( 7.473 -9.896 5.646) 13.626 3.968 ( 7.378 -2.248 -5.378) 9.402 4.371 ( 12.733 -8.576 -7.958) 17.292 4.449 ( 11.441 -7.620 8.308) 16.062 4.891 ( -10.199 -8.513 1.227) 13.341 5.189 ( -3.918 -9.435 -1.369) 10.307 6.260 ( -7.254 17.473 10.886) 21.827 6.519 ( -0.475 12.718 -14.452) 19.257 6.612 ( -10.402 10.910 4.398) 15.702 6.850 ( 2.013 -6.387 10.215) 12.215 7.625 ( -4.028 -6.231 18.551) 19.980 8.310 ( -2.478 0.091 4.345) 5.003 9.043 ( 4.780 -3.382 -7.193) 9.275 9.658 ( 5.687 -2.986 -14.833) 16.165 10.090 ( -4.550 9.649 1.973) 10.849 10.553 ( 0.316 1.520 -1.050) 1.874 11.991 ( -0.199 8.471 1.203) 8.559 12.132 ( 1.786 7.632 0.302) 7.844 12.415 ( -0.868 0.235 -0.083) 0.903 12.499 ( 0.533 -0.927 -0.310) 1.113 12.809 ( -0.100 -7.381 3.425) 8.138 12.896 ( 1.060 -7.851 -4.338) 9.032 13.789 ( -1.046 0.714 0.736) 1.465 13.867 ( -0.193 -0.470 -2.364) 2.419 14.312 ( 0.312 1.359 1.545) 2.081 14.337 ( 0.716 0.962 0.167) 1.210 ======================= Grid point 379 (195/216) ======================= q-point: (-0.20 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.511 ( 8.257 14.714 4.033) 17.348 2.823 ( -8.057 22.615 4.477) 24.422 3.061 ( 3.787 1.469 -3.527) 5.379 3.477 ( -1.341 2.721 -14.497) 14.810 4.048 ( 3.701 -9.636 4.778) 11.375 4.087 ( 5.616 -4.110 -5.881) 9.111 4.505 ( 4.210 -13.145 -3.016) 14.128 4.664 ( 0.954 -17.675 13.461) 22.237 4.738 ( 0.464 4.186 -1.948) 4.640 5.130 ( -2.346 -2.246 2.728) 4.242 6.123 ( -10.815 17.561 13.068) 24.415 6.233 ( -11.562 15.918 -21.800) 29.366 6.705 ( 9.910 6.899 0.373) 12.081 6.966 ( 5.790 -1.934 15.048) 16.240 7.569 ( -6.580 -5.371 12.250) 14.907 8.232 ( -6.863 2.857 -0.800) 7.477 9.125 ( 5.303 -8.246 -3.174) 10.305 9.664 ( -0.224 -2.425 -11.573) 11.826 10.080 ( 2.196 5.221 2.604) 6.234 10.525 ( -2.818 -1.556 -0.786) 3.313 12.009 ( 1.672 8.146 1.154) 8.395 12.159 ( 0.777 6.617 0.252) 6.668 12.404 ( -0.338 -0.141 0.421) 0.558 12.498 ( -0.512 -1.202 -0.602) 1.438 12.818 ( -0.156 -8.374 3.693) 9.154 12.902 ( 0.922 -9.393 -4.485) 10.450 13.776 ( -0.430 0.559 0.519) 0.876 13.852 ( -0.578 -0.711 -2.278) 2.455 14.324 ( 0.489 1.560 1.256) 2.061 14.351 ( 0.522 1.034 0.421) 1.233 ======================= Grid point 380 (196/216) ======================= q-point: (-0.10 0.30 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.640 ( -2.457 19.955 8.149) 21.695 2.781 ( 7.223 22.371 2.959) 23.694 3.099 ( -0.934 6.968 1.116) 7.118 3.442 ( 2.622 8.255 -17.170) 19.231 4.069 ( -1.654 -7.953 1.501) 8.261 4.129 ( 0.698 -2.973 -6.932) 7.575 4.592 ( 5.570 -18.916 1.951) 19.815 4.619 ( -2.327 -11.274 9.692) 15.049 4.848 ( 3.881 7.439 7.207) 11.061 5.068 ( -6.447 0.477 6.209) 8.964 5.915 ( -12.271 10.821 9.656) 18.998 6.063 ( 1.285 13.256 -28.604) 31.553 6.948 ( 14.705 11.578 -0.330) 18.719 7.129 ( 3.162 0.483 19.833) 20.089 7.482 ( -1.751 -4.695 1.540) 5.242 8.023 ( -12.917 8.960 -6.854) 17.149 9.234 ( 5.459 -13.173 3.308) 14.638 9.603 ( -2.579 -5.812 -10.596) 12.358 10.158 ( 4.139 2.433 4.896) 6.857 10.445 ( -4.995 -2.640 -0.877) 5.717 12.057 ( 2.444 7.349 1.951) 7.987 12.161 ( -0.311 5.950 -1.086) 6.056 12.406 ( 0.337 -0.480 1.120) 1.264 12.476 ( -1.420 -1.489 -0.592) 2.141 12.823 ( -0.451 -9.321 3.970) 10.141 12.906 ( 0.805 -10.151 -4.412) 11.097 13.776 ( 0.295 0.306 0.397) 0.582 13.833 ( -0.617 -0.760 -2.353) 2.549 14.335 ( 0.079 1.548 2.034) 2.558 14.360 ( 0.418 1.245 -0.380) 1.367 ======================= Grid point 381 (197/216) ======================= q-point: ( 0.00 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.007 ( -4.490 21.217 6.211) 22.558 3.159 ( 1.693 13.678 -9.029) 16.477 3.419 ( -3.720 14.719 13.132) 20.073 3.622 ( 5.532 0.750 -7.229) 9.134 3.884 ( 0.365 -7.923 5.802) 9.827 4.058 ( -2.223 2.113 -11.730) 12.125 4.310 ( -0.152 -18.187 7.697) 19.749 4.404 ( 3.884 -11.298 -1.244) 12.012 4.936 ( -6.014 1.025 2.414) 6.561 5.064 ( 4.432 -1.809 -9.595) 10.723 5.927 ( -11.780 16.863 21.178) 29.523 6.350 ( 10.263 7.348 -19.972) 23.626 6.993 ( -7.312 -6.148 15.022) 17.802 7.256 ( 8.840 -8.681 -10.777) 16.421 7.780 ( 12.068 15.387 10.066) 21.994 7.992 ( -5.175 10.941 -10.870) 16.267 9.106 ( 0.485 -8.135 5.721) 9.958 9.277 ( -4.769 -12.365 -11.121) 17.301 10.278 ( 1.334 1.427 5.118) 5.478 10.319 ( -2.517 -0.689 0.839) 2.742 12.209 ( -1.646 6.068 3.236) 7.071 12.273 ( 1.431 4.793 -3.348) 6.019 12.413 ( -0.900 -1.065 0.854) 1.635 12.417 ( 0.824 -0.921 0.427) 1.308 12.649 ( -1.180 -6.572 3.993) 7.780 12.726 ( 1.074 -8.022 -3.880) 8.976 13.790 ( 0.448 0.261 -0.342) 0.622 13.806 ( -0.072 -0.465 -1.929) 1.986 14.363 ( -0.413 1.083 1.868) 2.198 14.381 ( 0.218 0.226 -0.011) 0.314 ======================= Grid point 382 (198/216) ======================= q-point: ( 0.10 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.939 ( -5.383 19.814 7.222) 21.765 3.167 ( 1.782 15.897 -4.064) 16.504 3.329 ( -7.874 8.898 9.890) 15.459 3.648 ( -1.369 10.914 -10.397) 15.136 3.876 ( -2.836 -6.714 2.357) 7.661 3.998 ( -0.001 -4.530 -3.020) 5.445 4.243 ( -6.203 -15.062 1.587) 16.367 4.499 ( 4.518 -16.117 -4.390) 17.305 4.809 ( -7.052 1.307 4.770) 8.613 5.058 ( -3.331 -9.292 -6.794) 11.983 5.902 ( 2.648 21.359 22.281) 30.978 6.562 ( 14.570 0.252 -14.213) 20.356 6.864 ( -7.010 6.185 6.972) 11.662 7.398 ( 2.980 -6.464 -5.844) 9.210 7.715 ( -3.113 10.670 -14.674) 18.408 8.117 ( 8.639 3.467 -2.242) 9.575 9.029 ( -5.500 -4.104 3.595) 7.747 9.312 ( 5.790 -10.816 0.022) 12.269 10.242 ( -3.260 3.446 2.641) 5.430 10.360 ( 3.442 -2.091 3.424) 5.286 12.177 ( -2.161 6.754 2.888) 7.657 12.300 ( 1.796 3.873 -2.322) 4.859 12.401 ( -0.150 -0.154 0.251) 0.331 12.448 ( 1.416 -0.070 0.702) 1.583 12.633 ( -1.368 -7.169 3.926) 8.287 12.732 ( 0.652 -8.151 -3.961) 9.086 13.799 ( 0.544 0.109 -1.093) 1.225 13.808 ( 0.766 -0.199 -1.143) 1.391 14.355 ( -0.866 1.369 1.727) 2.368 14.382 ( -0.134 0.007 -0.043) 0.141 ======================= Grid point 383 (199/216) ======================= q-point: ( 0.20 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.800 ( -10.941 18.914 3.374) 22.109 3.171 ( -8.095 5.058 0.853) 9.584 3.228 ( 2.273 14.000 0.133) 14.184 3.549 ( -2.721 18.121 -5.028) 19.002 3.841 ( -1.401 -10.814 0.236) 10.907 3.999 ( -1.470 -7.001 -1.302) 7.272 4.121 ( -5.605 -14.538 1.498) 15.653 4.497 ( -4.136 -22.979 -9.621) 25.252 4.718 ( -1.548 3.083 4.123) 5.375 4.964 ( -3.949 -8.711 2.766) 9.956 6.089 ( 7.972 17.630 20.291) 28.037 6.640 ( -6.267 -8.115 9.050) 13.676 6.925 ( 13.109 20.862 -12.778) 27.755 7.244 ( -10.785 6.753 -8.206) 15.142 7.809 ( 12.024 -4.201 -20.645) 24.258 8.174 ( 0.814 -13.375 -3.348) 13.812 8.994 ( -0.875 7.866 5.353) 9.555 9.395 ( 1.351 -8.212 3.226) 8.926 10.214 ( 0.280 7.200 2.529) 7.636 10.445 ( 4.185 -3.504 2.638) 6.062 12.152 ( -1.165 8.189 3.013) 8.804 12.326 ( 1.556 4.224 -1.931) 4.898 12.400 ( -0.349 1.496 -0.213) 1.551 12.467 ( 0.350 0.287 1.318) 1.394 12.629 ( -0.122 -8.322 3.628) 9.079 12.730 ( 0.514 -8.690 -4.377) 9.743 13.809 ( 1.036 0.427 -1.708) 2.043 13.824 ( 0.984 -0.118 -0.325) 1.043 14.341 ( -1.095 1.573 1.661) 2.536 14.375 ( -0.492 -0.237 -0.141) 0.565 ======================= Grid point 384 (200/216) ======================= q-point: ( 0.30 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.559 ( -12.616 12.601 -1.446) 17.890 2.944 ( -12.031 -2.140 -9.599) 15.539 3.307 ( 4.132 9.529 2.250) 10.627 3.585 ( 5.530 16.295 4.730) 17.846 3.811 ( -0.959 -7.463 -2.679) 7.987 3.897 ( -6.728 -7.453 -1.185) 10.110 4.002 ( -8.659 -11.193 -4.581) 14.875 4.380 ( -2.735 -15.035 -2.971) 15.568 4.770 ( 4.345 -2.744 2.617) 5.767 4.928 ( -1.331 -8.902 5.459) 10.528 6.283 ( 5.563 10.783 17.915) 21.637 6.536 ( -6.071 0.004 10.757) 12.351 6.955 ( -8.700 8.898 -2.149) 12.629 7.153 ( 3.712 4.947 -16.702) 17.810 7.923 ( 7.605 -1.124 -16.621) 18.313 8.284 ( 11.406 -12.815 -4.738) 17.798 8.955 ( -4.979 10.672 3.948) 12.420 9.366 ( -5.135 -7.661 2.397) 9.530 10.284 ( 5.913 9.480 2.023) 11.355 10.527 ( 3.358 -2.118 1.445) 4.225 12.149 ( -0.158 9.175 3.410) 9.790 12.342 ( 0.301 8.405 -4.205) 9.403 12.386 ( -0.603 -1.083 2.528) 2.815 12.477 ( 0.319 0.319 1.004) 1.101 12.645 ( 0.473 -8.149 3.204) 8.769 12.728 ( 0.766 -9.005 -4.747) 10.208 13.829 ( 1.436 0.647 -1.773) 2.371 13.841 ( 0.784 0.220 0.033) 0.815 14.324 ( -1.037 1.565 1.721) 2.547 14.363 ( -0.716 -0.404 -0.297) 0.874 ======================= Grid point 385 (201/216) ======================= q-point: ( 0.40 0.40 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.358 ( -6.158 0.409 -2.270) 6.576 2.676 ( -11.695 -10.662 -11.419) 19.515 3.391 ( 3.488 3.540 3.175) 5.897 3.668 ( -0.886 -6.490 -5.150) 8.332 3.756 ( -5.575 -1.821 0.264) 5.871 3.817 ( -3.421 -0.193 -9.277) 9.889 3.884 ( 7.185 9.169 6.143) 13.169 4.331 ( -3.638 -2.605 -0.799) 4.545 4.868 ( 3.998 -7.911 2.492) 9.208 4.941 ( 1.451 -11.921 2.439) 12.255 6.402 ( 1.443 5.064 15.284) 16.166 6.504 ( 0.161 1.823 13.580) 13.703 6.791 ( -6.288 3.275 -3.717) 8.005 7.060 ( -8.024 -4.786 -10.642) 14.161 8.096 ( 12.047 8.922 -6.527) 16.350 8.432 ( -0.024 0.405 -0.437) 0.596 8.891 ( 1.269 2.590 -0.288) 2.899 9.237 ( -6.216 -8.783 -5.467) 12.069 10.423 ( 6.823 8.543 1.564) 11.045 10.571 ( 0.631 1.258 0.215) 1.423 12.162 ( 0.228 9.198 4.172) 10.102 12.308 ( -1.607 8.423 -4.145) 9.524 12.407 ( 1.388 -0.313 2.630) 2.991 12.482 ( -0.080 0.822 0.011) 0.826 12.659 ( -0.097 -7.718 3.013) 8.285 12.732 ( 1.020 -8.850 -4.882) 10.159 13.851 ( 0.790 0.801 -0.758) 1.356 13.853 ( 0.826 0.592 -0.781) 1.282 14.313 ( -0.669 1.321 1.915) 2.421 14.347 ( -0.676 -0.424 -0.417) 0.900 ======================= Grid point 386 (202/216) ======================= q-point: (-0.50 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.334 ( 3.838 -10.064 1.504) 10.875 2.450 ( -7.112 -13.591 -9.402) 17.992 3.444 ( -0.050 -0.466 5.533) 5.553 3.610 ( 0.750 -8.063 -11.671) 14.205 3.695 ( -0.527 1.930 0.757) 2.140 3.778 ( 1.607 -1.756 -8.000) 8.347 4.110 ( 11.441 13.026 5.700) 18.250 4.211 ( -7.553 7.315 -4.536) 11.451 4.912 ( -0.357 -10.039 3.993) 10.810 4.987 ( 2.781 -12.094 -3.852) 12.993 6.469 ( 1.926 3.626 14.884) 15.440 6.603 ( 3.879 2.546 13.490) 14.266 6.698 ( -1.632 -3.434 -2.356) 4.473 6.855 ( -8.682 -5.140 -6.767) 12.149 8.139 ( -14.997 12.412 15.222) 24.711 8.378 ( 1.266 5.748 -1.578) 6.094 8.951 ( 1.387 -1.350 -0.673) 2.050 9.212 ( 10.443 -9.401 -20.906) 25.189 10.514 ( -0.704 6.507 2.888) 7.153 10.564 ( 0.989 4.080 -2.275) 4.774 12.178 ( -0.212 8.859 5.225) 10.287 12.274 ( -0.297 8.663 -4.341) 9.694 12.440 ( 0.818 -0.191 2.484) 2.622 12.474 ( -0.353 1.261 -1.132) 1.731 12.659 ( -0.694 -7.743 2.969) 8.322 12.737 ( 0.890 -8.574 -4.833) 9.882 13.850 ( -0.491 1.291 0.191) 1.394 13.869 ( 0.788 0.348 -1.754) 1.954 14.311 ( -0.135 0.960 2.166) 2.373 14.336 ( -0.291 -0.267 -0.406) 0.566 ======================= Grid point 387 (203/216) ======================= q-point: (-0.40 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.373 ( 2.668 -5.321 -2.959) 6.648 2.511 ( 11.770 -11.389 3.991) 16.857 3.429 ( -2.067 0.386 2.216) 3.054 3.636 ( 3.701 -6.844 -6.354) 10.046 3.717 ( 1.277 4.180 0.141) 4.373 3.843 ( 7.875 -8.129 -6.831) 13.219 4.036 ( -7.101 10.797 -8.561) 15.501 4.312 ( 7.131 4.413 1.095) 8.458 4.890 ( -2.180 -5.426 -0.011) 5.847 5.014 ( 1.514 -10.190 -4.800) 11.366 6.560 ( 1.601 7.655 12.260) 14.542 6.628 ( 0.353 4.657 -1.009) 4.778 6.698 ( -2.904 -3.903 2.198) 5.338 6.815 ( 5.794 -6.487 8.497) 12.160 7.802 ( -20.761 11.388 16.586) 28.910 8.300 ( -11.233 -7.692 11.818) 18.028 9.030 ( 9.218 7.664 -13.898) 18.353 9.410 ( 12.913 -7.896 -17.402) 23.063 10.424 ( -7.044 8.648 1.291) 11.228 10.583 ( -0.274 1.051 -0.828) 1.366 12.180 ( -0.916 9.345 4.271) 10.315 12.276 ( 1.364 9.023 -2.964) 9.594 12.439 ( -1.060 -0.512 0.299) 1.214 12.475 ( 0.425 0.556 0.172) 0.721 12.652 ( -0.821 -8.115 3.028) 8.700 12.735 ( 0.375 -8.693 -4.744) 9.910 13.835 ( -1.036 1.561 0.022) 1.873 13.871 ( -0.038 -0.094 -1.767) 1.770 14.319 ( 0.255 0.708 2.184) 2.310 14.336 ( 0.335 -0.026 -0.123) 0.358 ======================= Grid point 388 (204/216) ======================= q-point: (-0.30 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.529 ( 12.869 7.594 2.023) 15.079 2.790 ( 14.640 -5.260 4.534) 16.203 3.375 ( -3.792 7.463 -2.815) 8.832 3.649 ( -3.308 5.577 -3.288) 7.270 3.743 ( 2.966 -4.160 4.068) 6.531 3.954 ( 2.175 1.632 -9.527) 9.907 4.025 ( 11.173 -15.777 -4.721) 19.901 4.373 ( -0.296 -6.974 -1.382) 7.116 4.843 ( -1.504 1.903 -4.891) 5.460 5.037 ( 2.726 -6.221 -5.262) 8.592 6.524 ( -5.160 9.529 1.478) 10.937 6.664 ( 2.775 2.193 -0.183) 3.542 6.784 ( 5.365 1.268 15.054) 16.031 6.867 ( -3.264 9.689 3.841) 10.921 7.527 ( -11.293 0.202 19.892) 22.875 8.104 ( -9.620 -17.549 10.184) 22.455 9.157 ( 6.536 11.373 -14.133) 19.282 9.563 ( 6.902 -6.788 -14.810) 17.693 10.285 ( -6.692 9.540 1.736) 11.782 10.543 ( -3.411 -2.633 0.034) 4.310 12.175 ( -0.413 9.859 2.424) 10.160 12.295 ( 0.929 8.701 -1.278) 8.844 12.418 ( -0.888 -0.352 -0.431) 1.048 12.480 ( -0.154 -0.861 0.754) 1.154 12.647 ( -0.634 -8.395 3.324) 9.051 12.724 ( 0.010 -9.213 -4.776) 10.377 13.813 ( -1.082 1.531 -0.177) 1.883 13.858 ( -0.652 -0.538 -1.752) 1.945 14.332 ( 0.474 0.741 1.779) 1.984 14.347 ( 0.714 0.084 0.435) 0.840 ======================= Grid point 389 (205/216) ======================= q-point: (-0.20 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 352 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.836 ( 16.100 16.282 1.920) 22.978 3.079 ( 12.880 1.877 4.517) 13.777 3.261 ( -6.253 17.772 -2.869) 19.057 3.567 ( -2.393 7.058 -3.728) 8.333 3.831 ( 3.553 -10.660 4.410) 12.071 4.018 ( 5.742 -2.833 -7.466) 9.836 4.164 ( 2.489 -17.437 -2.058) 17.733 4.366 ( 1.275 -13.966 2.386) 14.226 4.830 ( 3.020 5.564 -7.441) 9.770 5.075 ( 2.193 -4.438 -6.279) 7.996 6.401 ( -8.040 11.164 1.853) 13.882 6.556 ( -16.864 11.945 4.527) 21.156 6.798 ( 6.434 4.043 -0.530) 7.617 7.068 ( 14.262 10.659 11.577) 21.237 7.409 ( -9.076 -6.873 16.598) 20.127 8.053 ( 1.407 -19.105 7.034) 20.407 9.169 ( -1.238 10.228 -11.744) 15.623 9.575 ( -1.320 -6.731 -13.077) 14.767 10.209 ( -1.552 7.281 2.884) 7.984 10.465 ( -4.400 -4.521 0.848) 6.366 12.182 ( 0.599 9.096 1.359) 9.217 12.297 ( -0.369 7.169 -1.053) 7.255 12.403 ( -0.541 -0.078 0.132) 0.562 12.472 ( -0.965 -1.420 0.821) 1.903 12.648 ( -0.375 -8.119 3.784) 8.965 12.713 ( 0.453 -9.369 -4.726) 10.504 13.795 ( -0.652 1.228 -0.317) 1.426 13.838 ( -0.819 -0.783 -1.748) 2.083 14.347 ( 0.509 0.851 1.658) 1.932 14.362 ( 0.645 0.159 0.517) 0.841 ======================= Grid point 390 (206/216) ======================= q-point: (-0.10 0.40 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 350 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.064 ( 2.804 20.919 -0.819) 21.122 3.136 ( -0.406 14.100 -5.311) 15.072 3.335 ( 8.382 14.442 12.139) 20.644 3.550 ( 2.072 2.097 -4.711) 5.557 3.873 ( -0.089 -10.850 2.151) 11.062 4.090 ( 2.871 0.103 -10.172) 10.570 4.210 ( 4.443 -19.131 5.000) 20.267 4.390 ( -0.636 -11.320 4.365) 12.149 4.918 ( 6.715 2.488 -6.194) 9.469 5.068 ( -1.313 -2.230 -4.992) 5.622 6.176 ( -18.311 14.302 20.562) 31.027 6.322 ( -1.697 11.374 -19.430) 22.578 6.950 ( 7.124 -3.838 4.721) 9.369 7.263 ( -6.911 -11.276 3.777) 13.754 7.423 ( 17.200 18.405 12.614) 28.173 8.100 ( -0.779 -5.270 0.879) 5.399 9.094 ( -1.762 1.335 -4.947) 5.418 9.452 ( -6.928 -9.408 -11.803) 16.608 10.226 ( 1.664 4.123 4.010) 5.987 10.386 ( -3.953 -3.402 1.133) 5.337 12.204 ( 0.981 7.336 1.643) 7.581 12.279 ( -0.826 5.675 -1.913) 6.046 12.400 ( 0.203 -0.315 0.497) 0.623 12.446 ( -1.872 -1.712 0.877) 2.684 12.653 ( -0.481 -7.185 4.009) 8.242 12.716 ( 1.117 -8.649 -4.283) 9.716 13.787 ( -0.038 0.744 -0.370) 0.832 13.818 ( -0.588 -0.744 -1.817) 2.050 14.360 ( 0.166 0.908 1.833) 2.052 14.374 ( 0.441 0.268 0.196) 0.552 ======================= Grid point 391 (207/216) ======================= q-point: ( 0.00 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.380 ( -4.493 -10.808 1.828) 11.847 3.380 ( -4.493 10.808 1.828) 11.847 3.464 ( 2.538 -9.801 -3.655) 10.764 3.464 ( 2.538 9.801 -3.655) 10.764 3.960 ( 2.225 -15.112 13.752) 20.553 3.960 ( 2.225 15.112 13.752) 20.553 4.206 ( 0.496 -9.501 -10.395) 14.092 4.206 ( 0.496 9.501 -10.395) 14.092 4.989 ( -1.844 -4.099 -5.345) 6.983 4.989 ( -1.844 4.099 -5.345) 6.983 6.265 ( -3.624 -14.363 9.502) 17.599 6.265 ( -3.624 14.363 9.502) 17.599 7.043 ( 4.665 -10.027 -5.758) 12.468 7.043 ( 4.665 10.027 -5.758) 12.468 8.038 ( 4.782 -7.246 2.956) 9.171 8.038 ( 4.782 7.246 2.956) 9.171 9.077 ( -3.772 -5.885 -5.539) 8.919 9.077 ( -3.772 5.885 -5.539) 8.919 10.303 ( -0.514 -1.053 2.998) 3.219 10.303 ( -0.514 1.053 2.998) 3.219 12.310 ( -1.034 -2.697 0.613) 2.953 12.310 ( -1.034 2.697 0.613) 2.953 12.394 ( 0.524 -0.700 0.373) 0.951 12.394 ( 0.524 0.700 0.373) 0.951 12.610 ( 0.302 -2.897 -0.375) 2.937 12.610 ( 0.302 2.897 -0.375) 2.937 13.797 ( 0.177 -0.416 -1.149) 1.235 13.797 ( 0.177 0.416 -1.149) 1.235 14.378 ( -0.071 -0.477 0.958) 1.072 14.378 ( -0.071 0.477 0.958) 1.072 ======================= Grid point 393 (208/216) ======================= q-point: ( 0.10 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.279 ( -6.432 -12.232 2.798) 14.101 3.279 ( -6.432 12.232 2.798) 14.101 3.506 ( 2.212 -15.435 -1.150) 15.635 3.506 ( 2.212 15.435 -1.150) 15.635 3.972 ( -4.010 -7.801 8.606) 12.288 3.972 ( -4.010 7.801 8.606) 12.288 4.156 ( -2.402 -16.121 -12.146) 20.327 4.156 ( -2.402 16.121 -12.146) 20.327 4.895 ( -5.677 -6.671 0.306) 8.765 4.895 ( -5.677 6.671 0.306) 8.765 6.308 ( 3.240 -18.849 12.644) 22.927 6.308 ( 3.240 18.849 12.644) 22.927 7.150 ( 8.459 -16.026 -10.756) 21.073 7.150 ( 8.459 16.026 -10.756) 21.073 7.995 ( -6.900 -13.503 -6.171) 16.372 7.995 ( -6.900 13.503 -6.171) 16.372 9.101 ( 5.336 -9.352 1.999) 10.951 9.101 ( 5.336 9.352 1.999) 10.951 10.309 ( 0.391 -3.049 2.929) 4.246 10.309 ( 0.391 3.049 2.929) 4.246 12.297 ( -0.634 -4.364 2.122) 4.894 12.297 ( -0.634 4.364 2.122) 4.894 12.421 ( 2.015 -2.132 -0.300) 2.949 12.421 ( 2.015 2.132 -0.300) 2.949 12.602 ( -0.883 -4.039 -1.086) 4.275 12.602 ( -0.883 4.039 -1.086) 4.275 13.803 ( 0.734 -0.263 -1.107) 1.354 13.803 ( 0.734 0.263 -1.107) 1.354 14.375 ( -0.489 -0.666 0.813) 1.160 14.375 ( -0.489 0.666 0.813) 1.160 ======================= Grid point 395 (209/216) ======================= q-point: ( 0.20 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.116 ( -11.400 -10.771 -1.885) 15.797 3.116 ( -11.400 10.771 -1.885) 15.797 3.533 ( 0.236 -15.101 0.387) 15.108 3.533 ( 0.236 15.101 0.387) 15.108 3.914 ( -2.708 -1.230 4.744) 5.599 3.914 ( -2.708 1.230 4.744) 5.599 4.041 ( -4.471 -20.447 -10.033) 23.211 4.041 ( -4.471 20.447 -10.033) 23.211 4.815 ( -3.060 -6.387 5.035) 8.689 4.815 ( -3.060 6.387 5.035) 8.689 6.407 ( 1.874 -14.274 14.584) 20.493 6.407 ( 1.874 14.274 14.584) 20.493 7.252 ( 2.383 -9.226 -11.073) 14.608 7.252 ( 2.383 9.226 -11.073) 14.608 7.869 ( 0.998 -12.488 -11.749) 17.175 7.869 ( 0.998 12.488 -11.749) 17.175 9.204 ( 2.262 -11.050 4.484) 12.138 9.204 ( 2.262 11.050 4.484) 12.138 10.348 ( 3.161 -6.070 2.426) 7.261 10.348 ( 3.161 6.070 2.426) 7.261 12.300 ( 0.039 -5.719 3.427) 6.667 12.300 ( 0.039 5.719 3.427) 6.667 12.462 ( 2.115 -2.397 -0.761) 3.286 12.462 ( 2.115 2.397 -0.761) 3.286 12.575 ( -1.130 -5.388 -1.947) 5.839 12.575 ( -1.130 5.388 -1.947) 5.839 13.818 ( 1.153 -0.414 -0.990) 1.575 13.818 ( 1.153 0.414 -0.990) 1.575 14.364 ( -0.812 -0.860 0.689) 1.369 14.364 ( -0.812 0.860 0.689) 1.369 ======================= Grid point 397 (210/216) ======================= q-point: ( 0.30 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.815 ( -17.073 -11.045 -8.129) 21.899 2.815 ( -17.073 11.045 -8.129) 21.899 3.518 ( -1.098 -12.144 -1.430) 12.277 3.518 ( -1.098 12.144 -1.430) 12.277 3.844 ( -4.561 -3.251 -4.393) 7.118 3.844 ( -4.561 3.251 -4.393) 7.118 4.039 ( 5.224 -19.166 3.703) 20.207 4.039 ( 5.224 19.166 3.703) 20.207 4.795 ( -1.108 -4.420 5.972) 7.512 4.795 ( -1.108 4.420 5.972) 7.512 6.458 ( -0.868 -6.747 14.450) 15.971 6.458 ( -0.868 6.747 14.450) 15.971 7.133 ( -9.267 -6.871 -8.811) 14.516 7.133 ( -9.267 6.871 -8.811) 14.516 8.024 ( 15.888 -11.038 -11.992) 22.761 8.024 ( 15.888 11.038 -11.992) 22.761 9.182 ( -5.553 -10.876 3.371) 12.668 9.182 ( -5.553 10.876 3.371) 12.668 10.443 ( 5.482 -6.337 1.672) 8.544 10.443 ( 5.482 6.337 1.672) 8.544 12.313 ( -0.065 -6.403 4.450) 7.798 12.313 ( -0.065 6.403 4.450) 7.798 12.491 ( 1.163 -1.224 -2.061) 2.665 12.491 ( 1.163 1.224 -2.061) 2.665 12.557 ( 0.050 -4.949 -1.816) 5.271 12.557 ( 0.050 4.949 -1.816) 5.271 13.840 ( 1.275 -0.367 -0.839) 1.570 13.840 ( 1.275 0.367 -0.839) 1.570 14.349 ( -0.930 -0.957 0.628) 1.475 14.349 ( -0.930 0.957 0.628) 1.475 ======================= Grid point 399 (211/216) ======================= q-point: ( 0.40 -0.50 -0.57) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.465 ( -14.310 -9.356 -9.610) 19.613 2.465 ( -14.310 9.356 -9.610) 19.613 3.494 ( -0.541 -7.305 -3.577) 8.152 3.494 ( -0.541 7.305 -3.577) 8.152 3.763 ( -2.095 -2.993 -3.874) 5.325 3.763 ( -2.095 2.993 -3.874) 5.325 4.183 ( 6.750 -13.089 4.740) 15.471 4.183 ( 6.750 13.089 4.740) 15.471 4.800 ( 0.075 -1.656 4.099) 4.421 4.800 ( 0.075 1.656 4.099) 4.421 6.477 ( -0.985 -2.815 14.232) 14.541 6.477 ( -0.985 2.815 14.232) 14.541 6.922 ( -8.868 -7.946 -7.182) 13.905 6.922 ( -8.868 7.946 -7.182) 13.905 8.304 ( 12.390 -10.526 -3.239) 16.577 8.304 ( 12.390 10.526 -3.239) 16.577 9.044 ( -6.627 -10.227 -3.395) 12.650 9.044 ( -6.627 10.227 -3.395) 12.650 10.547 ( 4.123 -3.792 0.952) 5.682 10.547 ( 4.123 3.792 0.952) 5.682 12.320 ( -0.489 -5.732 4.417) 7.253 12.320 ( -0.489 5.732 4.417) 7.253 12.499 ( 0.509 -3.197 -2.561) 4.128 12.499 ( 0.509 3.197 -2.561) 4.128 12.563 ( 0.768 -3.899 -1.522) 4.255 12.563 ( 0.768 3.899 -1.522) 4.255 13.860 ( 0.929 -0.045 -0.746) 1.193 13.860 ( 0.929 0.045 -0.746) 1.193 14.334 ( -0.739 -0.884 0.686) 1.341 14.334 ( -0.739 0.884 0.686) 1.341 ======================= Grid point 401 (212/216) ======================= q-point: (-0.50 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.267 ( -2.397 -3.555 -5.654) 7.096 2.267 ( -2.397 3.555 -5.654) 7.096 3.480 ( 0.351 -4.348 -3.685) 5.710 3.480 ( 0.351 4.348 -3.685) 5.710 3.739 ( 0.587 -2.196 -3.529) 4.198 3.739 ( 0.587 2.196 -3.529) 4.198 4.287 ( 2.259 -2.225 0.974) 3.317 4.287 ( 2.259 2.225 0.974) 3.317 4.825 ( 1.985 -2.537 0.345) 3.240 4.825 ( 1.985 2.537 0.345) 3.240 6.526 ( 2.208 -3.758 14.412) 15.056 6.526 ( 2.208 3.758 14.412) 15.056 6.766 ( -5.211 -4.447 -4.346) 8.113 6.766 ( -5.211 4.447 -4.346) 8.113 8.353 ( -10.419 -7.726 12.660) 18.125 8.353 ( -10.419 7.726 12.660) 18.125 9.027 ( 9.547 -8.240 -16.739) 20.958 9.027 ( 9.547 8.240 -16.739) 20.958 10.592 ( 0.122 -1.300 0.414) 1.370 10.592 ( 0.122 1.300 0.414) 1.370 12.326 ( -0.044 -4.556 3.785) 5.923 12.326 ( -0.044 4.556 3.785) 5.923 12.493 ( -0.598 -3.326 -1.588) 3.734 12.493 ( -0.598 3.326 -1.588) 3.734 12.573 ( 0.742 -4.930 -2.108) 5.413 12.573 ( 0.742 4.930 -2.108) 5.413 13.869 ( 0.158 -0.478 -0.775) 0.924 13.869 ( 0.158 0.478 -0.775) 0.924 14.326 ( -0.246 -0.656 0.871) 1.118 14.326 ( -0.246 0.656 0.871) 1.118 ======================= Grid point 403 (213/216) ======================= q-point: (-0.40 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.355 ( 11.601 -3.739 0.893) 12.221 2.355 ( 11.601 3.739 0.893) 12.221 3.489 ( 1.498 -6.166 -2.247) 6.731 3.489 ( 1.498 6.166 -2.247) 6.731 3.761 ( 2.714 -1.525 -4.041) 5.101 3.761 ( 2.714 1.525 -4.041) 5.101 4.266 ( -3.691 -8.934 -3.503) 10.282 4.266 ( -3.691 8.934 -3.503) 10.282 4.875 ( 3.390 -3.562 -4.005) 6.342 4.875 ( 3.390 3.562 -4.005) 6.342 6.650 ( 4.948 -2.750 7.396) 9.314 6.650 ( 4.948 2.750 7.396) 9.314 6.698 ( 0.027 -3.104 5.793) 6.572 6.698 ( 0.027 3.104 5.793) 6.572 8.068 ( -20.141 -14.018 14.638) 28.573 8.068 ( -20.141 14.018 14.638) 28.573 9.225 ( 13.257 -10.472 -16.727) 23.774 9.225 ( 13.257 10.472 -16.727) 23.774 10.553 ( -4.128 -4.118 0.326) 5.840 10.553 ( -4.128 4.118 0.326) 5.840 12.342 ( 0.531 -5.239 3.419) 6.279 12.342 ( 0.531 5.239 3.419) 6.279 12.469 ( -1.280 -4.293 -1.268) 4.656 12.469 ( -1.280 4.293 -1.268) 4.656 12.575 ( 0.111 -5.053 -2.220) 5.520 12.575 ( 0.111 5.053 -2.220) 5.520 13.861 ( -0.641 -0.956 -0.889) 1.455 13.861 ( -0.641 0.956 -0.889) 1.455 14.330 ( 0.310 -0.449 1.088) 1.217 14.330 ( 0.310 0.449 1.088) 1.217 ======================= Grid point 405 (214/216) ======================= q-point: (-0.30 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.677 ( 18.973 -6.558 5.132) 20.720 2.677 ( 18.973 6.558 5.132) 20.720 3.520 ( 1.908 -9.301 -0.811) 9.529 3.520 ( 1.908 9.301 -0.811) 9.529 3.814 ( 3.347 -5.094 -3.108) 6.842 3.814 ( 3.347 5.094 -3.108) 6.842 4.155 ( -4.789 -13.644 -6.378) 15.804 4.155 ( -4.789 13.644 -6.378) 15.804 4.923 ( 3.154 -5.424 -7.479) 9.762 4.923 ( 3.154 5.424 -7.479) 9.762 6.648 ( -1.675 -3.260 -0.482) 3.696 6.648 ( -1.675 3.260 -0.482) 3.696 6.876 ( 8.527 -5.743 14.689) 17.929 6.876 ( 8.527 5.743 14.689) 17.929 7.732 ( -16.585 -17.840 13.192) 27.701 7.732 ( -16.585 17.840 13.192) 27.701 9.388 ( 7.301 -10.777 -14.784) 19.698 9.388 ( 7.301 10.777 -14.784) 19.698 10.449 ( -6.046 -6.733 1.028) 9.107 10.449 ( -6.046 6.733 1.028) 9.107 12.356 ( -0.328 -7.061 2.258) 7.420 12.356 ( -0.328 7.061 2.258) 7.420 12.446 ( -0.622 -4.770 -0.359) 4.824 12.446 ( -0.622 4.770 -0.359) 4.824 12.566 ( -0.198 -4.110 -1.972) 4.563 12.566 ( -0.198 4.110 -1.972) 4.563 13.841 ( -1.022 -1.201 -1.002) 1.868 13.841 ( -1.022 1.201 -1.002) 1.868 14.343 ( 0.628 -0.411 1.211) 1.424 14.343 ( 0.628 0.411 1.211) 1.424 ======================= Grid point 407 (215/216) ======================= q-point: (-0.20 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.063 ( 17.669 -5.340 3.779) 18.842 3.063 ( 17.669 5.340 3.779) 18.842 3.544 ( 0.152 -12.751 -0.231) 12.754 3.544 ( 0.152 12.751 -0.231) 12.754 3.833 ( -1.553 -12.756 2.887) 13.171 3.833 ( -1.553 12.756 2.887) 13.171 4.112 ( 3.497 -9.832 -7.960) 13.125 4.112 ( 3.497 9.832 -7.960) 13.125 4.957 ( 3.030 -6.835 -9.266) 11.906 4.957 ( 3.030 6.835 -9.266) 11.906 6.575 ( -7.020 -6.137 2.915) 9.769 6.575 ( -7.020 6.137 2.915) 9.769 7.007 ( 0.002 -13.257 8.832) 15.929 7.007 ( 0.002 13.257 8.832) 15.929 7.613 ( 2.783 -22.445 11.870) 25.542 7.613 ( 2.783 22.445 11.870) 25.542 9.397 ( -2.218 -11.042 -13.485) 17.569 9.397 ( -2.218 11.042 -13.485) 17.569 10.351 ( -3.982 -6.759 2.187) 8.144 10.351 ( -3.982 6.759 2.187) 8.144 12.343 ( -0.962 -5.739 0.097) 5.820 12.343 ( -0.962 5.739 0.097) 5.820 12.432 ( -1.329 -3.416 1.147) 3.841 12.432 ( -1.329 3.416 1.147) 3.841 12.568 ( 1.068 -2.814 -1.152) 3.223 12.568 ( 1.068 2.814 -1.152) 3.223 13.819 ( -0.881 -1.138 -1.078) 1.799 13.819 ( -0.881 1.138 -1.078) 1.799 14.359 ( 0.610 -0.409 1.200) 1.407 14.359 ( 0.610 0.409 1.200) 1.407 ======================= Grid point 409 (216/216) ======================= q-point: (-0.10 -0.50 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 7.40e-04 7.40e-04 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 Number of triplets: 210 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 3.335 ( 9.252 -8.731 -2.354) 12.937 3.335 ( 9.252 8.731 -2.354) 12.937 3.503 ( -4.081 -15.107 -0.522) 15.657 3.503 ( -4.081 15.107 -0.522) 15.657 3.853 ( 2.629 -15.198 12.187) 19.657 3.853 ( 2.629 15.198 12.187) 19.657 4.186 ( 4.482 -8.695 -7.998) 12.636 4.186 ( 4.482 8.695 -7.998) 12.636 4.991 ( 2.957 -4.554 -8.771) 10.316 4.991 ( 2.957 4.554 -8.771) 10.316 6.398 ( -11.049 -5.573 6.864) 14.151 6.398 ( -11.049 5.573 6.864) 14.151 7.003 ( 0.259 -10.631 0.535) 10.648 7.003 ( 0.259 10.631 0.535) 10.648 7.828 ( 12.328 -19.415 9.559) 24.905 7.828 ( 12.328 19.415 9.559) 24.905 9.243 ( -8.478 -10.902 -11.189) 17.775 9.243 ( -8.478 10.902 -11.189) 17.775 10.310 ( -1.303 -4.161 2.793) 5.178 10.310 ( -1.303 4.161 2.793) 5.178 12.327 ( -0.669 -3.604 -0.560) 3.708 12.327 ( -0.669 3.604 -0.560) 3.708 12.404 ( -1.568 -2.244 1.239) 3.005 12.404 ( -1.568 2.244 1.239) 3.005 12.593 ( 1.381 -2.371 -0.316) 2.762 12.593 ( 1.381 2.371 -0.316) 2.762 13.803 ( -0.408 -0.825 -1.129) 1.457 13.803 ( -0.408 0.825 -1.129) 1.457 14.372 ( 0.335 -0.395 1.097) 1.213 14.372 ( 0.335 0.395 1.097) 1.213 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/21000 10.0 3538.398 1678.473 1874.123 0.000 198.576 0.000 3/21000 20.0 543.517 517.289 520.042 0.000 -24.182 0.000 3/21000 30.0 166.029 175.170 185.150 0.000 -16.607 0.000 3/21000 40.0 83.519 92.930 96.483 0.000 -11.324 0.000 3/21000 50.0 52.225 60.501 62.194 0.000 -8.103 0.000 3/21000 60.0 36.900 44.306 45.172 0.000 -6.073 0.000 3/21000 70.0 28.155 34.878 35.278 0.000 -4.753 0.000 3/21000 80.0 22.624 28.771 28.891 0.000 -3.861 0.000 3/21000 90.0 18.860 24.508 24.455 0.000 -3.235 0.000 3/21000 100.0 16.155 21.369 21.207 0.000 -2.778 0.000 3/21000 110.0 14.127 18.963 18.730 0.000 -2.432 0.000 3/21000 120.0 12.555 17.062 16.783 0.000 -2.164 0.000 3/21000 130.0 11.303 15.522 15.211 0.000 -1.951 0.000 3/21000 140.0 10.283 14.249 13.917 0.000 -1.777 0.000 3/21000 150.0 9.437 13.178 12.833 0.000 -1.632 0.000 3/21000 160.0 8.724 12.265 11.911 0.000 -1.510 0.000 3/21000 170.0 8.115 11.476 11.117 0.000 -1.406 0.000 3/21000 180.0 7.588 10.788 10.427 0.000 -1.316 0.000 3/21000 190.0 7.128 10.181 9.820 0.000 -1.237 0.000 3/21000 200.0 6.722 9.642 9.282 0.000 -1.168 0.000 3/21000 210.0 6.361 9.159 8.802 0.000 -1.106 0.000 3/21000 220.0 6.039 8.725 8.371 0.000 -1.051 0.000 3/21000 230.0 5.749 8.331 7.982 0.000 -1.001 0.000 3/21000 240.0 5.486 7.972 7.628 0.000 -0.956 0.000 3/21000 250.0 5.247 7.644 7.305 0.000 -0.915 0.000 3/21000 260.0 5.029 7.343 7.009 0.000 -0.878 0.000 3/21000 270.0 4.829 7.065 6.737 0.000 -0.843 0.000 3/21000 280.0 4.644 6.809 6.486 0.000 -0.811 0.000 3/21000 290.0 4.474 6.570 6.253 0.000 -0.782 0.000 3/21000 300.0 4.316 6.348 6.037 0.000 -0.755 0.000 3/21000 310.0 4.169 6.141 5.836 0.000 -0.729 0.000 3/21000 320.0 4.031 5.947 5.647 0.000 -0.706 0.000 3/21000 330.0 3.903 5.765 5.471 0.000 -0.683 0.000 3/21000 340.0 3.783 5.594 5.306 0.000 -0.663 0.000 3/21000 350.0 3.670 5.434 5.151 0.000 -0.643 0.000 3/21000 360.0 3.564 5.282 5.004 0.000 -0.625 0.000 3/21000 370.0 3.464 5.139 4.866 0.000 -0.607 0.000 3/21000 380.0 3.370 5.003 4.735 0.000 -0.591 0.000 3/21000 390.0 3.280 4.874 4.612 0.000 -0.576 0.000 3/21000 400.0 3.196 4.752 4.494 0.000 -0.561 0.000 3/21000 410.0 3.116 4.636 4.383 0.000 -0.547 0.000 3/21000 420.0 3.039 4.526 4.277 0.000 -0.534 0.000 3/21000 430.0 2.967 4.420 4.176 0.000 -0.521 0.000 3/21000 440.0 2.897 4.320 4.080 0.000 -0.509 0.000 3/21000 450.0 2.832 4.224 3.988 0.000 -0.497 0.000 3/21000 460.0 2.769 4.132 3.900 0.000 -0.486 0.000 3/21000 470.0 2.708 4.044 3.817 0.000 -0.476 0.000 3/21000 480.0 2.651 3.960 3.736 0.000 -0.466 0.000 3/21000 490.0 2.596 3.879 3.659 0.000 -0.456 0.000 3/21000 500.0 2.543 3.802 3.585 0.000 -0.447 0.000 3/21000 510.0 2.492 3.727 3.515 0.000 -0.438 0.000 3/21000 520.0 2.443 3.656 3.446 0.000 -0.430 0.000 3/21000 530.0 2.396 3.587 3.381 0.000 -0.422 0.000 3/21000 540.0 2.351 3.521 3.318 0.000 -0.414 0.000 3/21000 550.0 2.308 3.457 3.257 0.000 -0.406 0.000 3/21000 560.0 2.266 3.395 3.199 0.000 -0.399 0.000 3/21000 570.0 2.226 3.336 3.142 0.000 -0.392 0.000 3/21000 580.0 2.187 3.278 3.088 0.000 -0.385 0.000 3/21000 590.0 2.149 3.223 3.035 0.000 -0.378 0.000 3/21000 600.0 2.113 3.169 2.984 0.000 -0.372 0.000 3/21000 610.0 2.078 3.118 2.935 0.000 -0.366 0.000 3/21000 620.0 2.044 3.067 2.888 0.000 -0.360 0.000 3/21000 630.0 2.011 3.019 2.842 0.000 -0.354 0.000 3/21000 640.0 1.979 2.972 2.797 0.000 -0.349 0.000 3/21000 650.0 1.949 2.926 2.754 0.000 -0.343 0.000 3/21000 660.0 1.919 2.882 2.712 0.000 -0.338 0.000 3/21000 670.0 1.890 2.839 2.671 0.000 -0.333 0.000 3/21000 680.0 1.862 2.798 2.632 0.000 -0.328 0.000 3/21000 690.0 1.835 2.757 2.594 0.000 -0.323 0.000 3/21000 700.0 1.808 2.718 2.557 0.000 -0.319 0.000 3/21000 710.0 1.783 2.680 2.521 0.000 -0.314 0.000 3/21000 720.0 1.758 2.643 2.485 0.000 -0.310 0.000 3/21000 730.0 1.733 2.607 2.451 0.000 -0.306 0.000 3/21000 740.0 1.710 2.571 2.418 0.000 -0.301 0.000 3/21000 750.0 1.687 2.537 2.386 0.000 -0.297 0.000 3/21000 760.0 1.665 2.504 2.354 0.000 -0.293 0.000 3/21000 770.0 1.643 2.472 2.324 0.000 -0.290 0.000 3/21000 780.0 1.622 2.440 2.294 0.000 -0.286 0.000 3/21000 790.0 1.601 2.409 2.265 0.000 -0.282 0.000 3/21000 800.0 1.581 2.379 2.237 0.000 -0.279 0.000 3/21000 810.0 1.561 2.350 2.209 0.000 -0.275 0.000 3/21000 820.0 1.542 2.321 2.182 0.000 -0.272 0.000 3/21000 830.0 1.523 2.293 2.156 0.000 -0.269 0.000 3/21000 840.0 1.505 2.266 2.130 0.000 -0.265 0.000 3/21000 850.0 1.487 2.240 2.105 0.000 -0.262 0.000 3/21000 860.0 1.470 2.214 2.080 0.000 -0.259 0.000 3/21000 870.0 1.453 2.188 2.057 0.000 -0.256 0.000 3/21000 880.0 1.436 2.164 2.033 0.000 -0.253 0.000 3/21000 890.0 1.420 2.139 2.010 0.000 -0.251 0.000 3/21000 900.0 1.404 2.116 1.988 0.000 -0.248 0.000 3/21000 910.0 1.389 2.092 1.966 0.000 -0.245 0.000 3/21000 920.0 1.374 2.070 1.945 0.000 -0.242 0.000 3/21000 930.0 1.359 2.048 1.924 0.000 -0.240 0.000 3/21000 940.0 1.344 2.026 1.903 0.000 -0.237 0.000 3/21000 950.0 1.330 2.005 1.883 0.000 -0.235 0.000 3/21000 960.0 1.316 1.984 1.864 0.000 -0.232 0.000 3/21000 970.0 1.303 1.963 1.845 0.000 -0.230 0.000 3/21000 980.0 1.289 1.943 1.826 0.000 -0.227 0.000 3/21000 990.0 1.276 1.924 1.807 0.000 -0.225 0.000 3/21000 1000.0 1.263 1.905 1.789 0.000 -0.223 0.000 3/21000 Thermal conductivity related properties were written into "kappa-m10107.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 18:35:07]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|